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/evo_s2-c00a5b89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s2-c00a5b89/inputs/seq.fa: 1
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s2-c00a5b89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s2-c00a5b89/inputs/seq.fa: 1
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s2-c00a5b89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s2-c00a5b89/inputs/seq.fa: 1
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s2-c00a5b89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s2-c00a5b89/inputs/seq.fa: 1
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s2-c00a5b89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s2-c00a5b89/inputs/seq.fa: 1
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s2-c00a5b89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s2-c00a5b89/inputs/seq.fa: 1
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s2-c00a5b89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s2-c00a5b89/inputs/seq.fa: 1
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s2-c00a5b89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s2-c00a5b89/inputs/seq.fa: 1
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s2-c00a5b89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s2-c00a5b89/inputs/seq.fa: 1
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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/evo_s2-c00a5b89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_s2-c00a5b89/inputs/seq.fa: 1
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 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: 270
n_atoms_counter: 270
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 53.000000 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: -215.184937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.184937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.184937 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -8.569
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -215.184937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.184937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.184937 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -8.569
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -215.184937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.184937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.184937 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -8.569
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -215.184937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.184937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.184937 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -8.569
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -215.184937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.184937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.184937 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -8.569
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -215.184937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.184937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.184937 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -8.569
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -215.184937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.184937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.184937 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -8.569
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -215.184937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.184937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.184937 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -8.569
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -215.184937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.184937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.184937 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -8.569
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -215.184937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.184937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.184937 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -8.569
Base-Backbone interact. energy: -0.000
local terms energy: -206.615728
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -276.277995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.277995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.277995 (E_RNA)
where:
Base-Base interactions energy: -110.543
where: short stacking energy: -108.738
Base-Backbone interact. energy: -0.901
local terms energy: -164.833880
where:
bonds (distance) C4'-P energy: -35.312
bonds (distance) P-C4' energy: -36.393
flat angles C4'-P-C4' energy: -34.614
flat angles P-C4'-P energy: -24.890
tors. eta vs tors. theta energy: -33.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -260.583678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.583678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.583678 (E_RNA)
where:
Base-Base interactions energy: -114.490
where: short stacking energy: -92.071
Base-Backbone interact. energy: 0.023
local terms energy: -146.116863
where:
bonds (distance) C4'-P energy: -36.691
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -40.317
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -235.845029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.845029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.845029 (E_RNA)
where:
Base-Base interactions energy: -116.493
where: short stacking energy: -54.934
Base-Backbone interact. energy: -0.236
local terms energy: -119.115941
where:
bonds (distance) C4'-P energy: -32.483
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -27.540
flat angles P-C4'-P energy: -28.581
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -226.597132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.597132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.597132 (E_RNA)
where:
Base-Base interactions energy: -72.782
where: short stacking energy: -72.269
Base-Backbone interact. energy: -0.107
local terms energy: -153.707660
where:
bonds (distance) C4'-P energy: -36.779
bonds (distance) P-C4' energy: -40.981
flat angles C4'-P-C4' energy: -32.578
flat angles P-C4'-P energy: -25.028
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -218.276770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.276770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.276770 (E_RNA)
where:
Base-Base interactions energy: -71.254
where: short stacking energy: -70.060
Base-Backbone interact. energy: -0.318
local terms energy: -146.704267
where:
bonds (distance) C4'-P energy: -30.609
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -38.394
flat angles P-C4'-P energy: -26.985
tors. eta vs tors. theta energy: -22.440
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -223.728207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.728207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.728207 (E_RNA)
where:
Base-Base interactions energy: -93.720
where: short stacking energy: -71.799
Base-Backbone interact. energy: 2.655
local terms energy: -132.662929
where:
bonds (distance) C4'-P energy: -26.388
bonds (distance) P-C4' energy: -32.453
flat angles C4'-P-C4' energy: -29.827
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -214.955034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.955034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.955034 (E_RNA)
where:
Base-Base interactions energy: -9.214
where: short stacking energy: -9.214
Base-Backbone interact. energy: -0.000
local terms energy: -205.741104
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -44.439
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -214.954932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.954932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.954932 (E_RNA)
where:
Base-Base interactions energy: -9.214
where: short stacking energy: -9.214
Base-Backbone interact. energy: -0.000
local terms energy: -205.741104
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -44.439
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -214.992068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.992068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.992068 (E_RNA)
where:
Base-Base interactions energy: -9.214
where: short stacking energy: -9.214
Base-Backbone interact. energy: -0.000
local terms energy: -205.778346
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -44.476
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -215.020104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.020104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.020104 (E_RNA)
where:
Base-Base interactions energy: -9.242
where: short stacking energy: -9.242
Base-Backbone interact. energy: -0.000
local terms energy: -205.778346
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -44.476
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -377.320441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.320441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.320441 (E_RNA)
where:
Base-Base interactions energy: -221.197
where: short stacking energy: -99.797
Base-Backbone interact. energy: -0.706
local terms energy: -155.417504
where:
bonds (distance) C4'-P energy: -37.365
bonds (distance) P-C4' energy: -36.472
flat angles C4'-P-C4' energy: -35.292
flat angles P-C4'-P energy: -22.902
tors. eta vs tors. theta energy: -23.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -290.491241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.491241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.491241 (E_RNA)
where:
Base-Base interactions energy: -139.489
where: short stacking energy: -76.829
Base-Backbone interact. energy: -0.477
local terms energy: -150.524612
where:
bonds (distance) C4'-P energy: -36.469
bonds (distance) P-C4' energy: -37.241
flat angles C4'-P-C4' energy: -35.938
flat angles P-C4'-P energy: -25.035
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -272.380184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.380184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.380184 (E_RNA)
where:
Base-Base interactions energy: -140.650
where: short stacking energy: -86.113
Base-Backbone interact. energy: 0.374
local terms energy: -132.104028
where:
bonds (distance) C4'-P energy: -29.856
bonds (distance) P-C4' energy: -34.154
flat angles C4'-P-C4' energy: -30.867
flat angles P-C4'-P energy: -26.153
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -235.276015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.276015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.276015 (E_RNA)
where:
Base-Base interactions energy: -94.342
where: short stacking energy: -68.919
Base-Backbone interact. energy: -0.164
local terms energy: -140.770661
where:
bonds (distance) C4'-P energy: -29.003
bonds (distance) P-C4' energy: -35.773
flat angles C4'-P-C4' energy: -35.020
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: -14.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -199.877623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.877623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.877623 (E_RNA)
where:
Base-Base interactions energy: -100.027
where: short stacking energy: -78.594
Base-Backbone interact. energy: -0.712
local terms energy: -99.138997
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -27.867
flat angles C4'-P-C4' energy: -21.476
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -8.662
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: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -230.524625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.524625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.524625 (E_RNA)
where:
Base-Base interactions energy: -100.326
where: short stacking energy: -70.280
Base-Backbone interact. energy: -0.534
local terms energy: -129.665412
where:
bonds (distance) C4'-P energy: -33.233
bonds (distance) P-C4' energy: -29.504
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -23.966
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -192.939840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.939840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.939840 (E_RNA)
where:
Base-Base interactions energy: -93.598
where: short stacking energy: -65.789
Base-Backbone interact. energy: -0.675
local terms energy: -98.666210
where:
bonds (distance) C4'-P energy: -30.502
bonds (distance) P-C4' energy: -33.431
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -196.068157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.068157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.068157 (E_RNA)
where:
Base-Base interactions energy: -76.283
where: short stacking energy: -47.023
Base-Backbone interact. energy: -0.518
local terms energy: -119.266804
where:
bonds (distance) C4'-P energy: -28.987
bonds (distance) P-C4' energy: -28.890
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -12.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -162.441595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.441595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.441595 (E_RNA)
where:
Base-Base interactions energy: -68.703
where: short stacking energy: -37.321
Base-Backbone interact. energy: -0.763
local terms energy: -92.976059
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -29.585
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: 3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -149.862530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.862530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.862530 (E_RNA)
where:
Base-Base interactions energy: -53.234
where: short stacking energy: -31.956
Base-Backbone interact. energy: 0.271
local terms energy: -96.900224
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -41.285
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -11.677
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -387.295258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.295258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.295258 (E_RNA)
where:
Base-Base interactions energy: -240.494
where: short stacking energy: -102.745
Base-Backbone interact. energy: 0.129
local terms energy: -146.930629
where:
bonds (distance) C4'-P energy: -26.048
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -37.945
flat angles P-C4'-P energy: -27.475
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -371.568800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.568800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.568800 (E_RNA)
where:
Base-Base interactions energy: -215.127
where: short stacking energy: -122.887
Base-Backbone interact. energy: -1.325
local terms energy: -155.116390
where:
bonds (distance) C4'-P energy: -25.960
bonds (distance) P-C4' energy: -37.938
flat angles C4'-P-C4' energy: -35.057
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -31.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -301.039700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.039700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.039700 (E_RNA)
where:
Base-Base interactions energy: -175.990
where: short stacking energy: -86.096
Base-Backbone interact. energy: -1.732
local terms energy: -123.317395
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -31.033
flat angles C4'-P-C4' energy: -31.710
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -293.232422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.232422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.232422 (E_RNA)
where:
Base-Base interactions energy: -152.647
where: short stacking energy: -82.693
Base-Backbone interact. energy: -0.757
local terms energy: -139.828562
where:
bonds (distance) C4'-P energy: -34.917
bonds (distance) P-C4' energy: -34.643
flat angles C4'-P-C4' energy: -32.890
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -17.670
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: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -261.629975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.629975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.629975 (E_RNA)
where:
Base-Base interactions energy: -139.831
where: short stacking energy: -74.486
Base-Backbone interact. energy: -0.479
local terms energy: -121.319655
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -37.902
flat angles P-C4'-P energy: -24.190
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -209.498189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.498189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.498189 (E_RNA)
where:
Base-Base interactions energy: -94.382
where: short stacking energy: -72.285
Base-Backbone interact. energy: -1.401
local terms energy: -113.715676
where:
bonds (distance) C4'-P energy: -29.913
bonds (distance) P-C4' energy: -32.370
flat angles C4'-P-C4' energy: -24.454
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -9.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -218.449774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.449774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.449774 (E_RNA)
where:
Base-Base interactions energy: -103.636
where: short stacking energy: -56.798
Base-Backbone interact. energy: -0.758
local terms energy: -114.055964
where:
bonds (distance) C4'-P energy: -36.293
bonds (distance) P-C4' energy: -29.689
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -188.580456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.580456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.580456 (E_RNA)
where:
Base-Base interactions energy: -88.570
where: short stacking energy: -56.531
Base-Backbone interact. energy: 0.590
local terms energy: -100.600040
where:
bonds (distance) C4'-P energy: -33.060
bonds (distance) P-C4' energy: -24.246
flat angles C4'-P-C4' energy: -22.357
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: 1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -163.726480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.726480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.726480 (E_RNA)
where:
Base-Base interactions energy: -64.892
where: short stacking energy: -44.453
Base-Backbone interact. energy: -0.313
local terms energy: -98.521468
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -33.627
flat angles C4'-P-C4' energy: -27.552
flat angles P-C4'-P energy: -16.979
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: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -149.355624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.355624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.355624 (E_RNA)
where:
Base-Base interactions energy: -49.299
where: short stacking energy: -36.320
Base-Backbone interact. energy: -0.822
local terms energy: -99.234741
where:
bonds (distance) C4'-P energy: -37.639
bonds (distance) P-C4' energy: -28.232
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: 5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -398.361280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.361280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.361280 (E_RNA)
where:
Base-Base interactions energy: -241.785
where: short stacking energy: -120.156
Base-Backbone interact. energy: -0.824
local terms energy: -155.752422
where:
bonds (distance) C4'-P energy: -39.071
bonds (distance) P-C4' energy: -35.567
flat angles C4'-P-C4' energy: -38.617
flat angles P-C4'-P energy: -18.773
tors. eta vs tors. theta energy: -23.724
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: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -381.400058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.400058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.400058 (E_RNA)
where:
Base-Base interactions energy: -215.490
where: short stacking energy: -126.694
Base-Backbone interact. energy: -2.122
local terms energy: -163.788806
where:
bonds (distance) C4'-P energy: -31.026
bonds (distance) P-C4' energy: -34.988
flat angles C4'-P-C4' energy: -42.033
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: -33.357
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: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -292.976021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.976021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.976021 (E_RNA)
where:
Base-Base interactions energy: -171.271
where: short stacking energy: -99.995
Base-Backbone interact. energy: -1.559
local terms energy: -120.145121
where:
bonds (distance) C4'-P energy: -29.782
bonds (distance) P-C4' energy: -30.539
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -12.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -310.331452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.331452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.331452 (E_RNA)
where:
Base-Base interactions energy: -174.512
where: short stacking energy: -101.167
Base-Backbone interact. energy: -1.379
local terms energy: -134.440396
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -35.542
flat angles C4'-P-C4' energy: -28.805
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -292.341964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.341964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.341964 (E_RNA)
where:
Base-Base interactions energy: -146.285
where: short stacking energy: -96.002
Base-Backbone interact. energy: -0.259
local terms energy: -145.798042
where:
bonds (distance) C4'-P energy: -30.642
bonds (distance) P-C4' energy: -32.015
flat angles C4'-P-C4' energy: -35.695
flat angles P-C4'-P energy: -25.313
tors. eta vs tors. theta energy: -22.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -260.388252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.388252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.388252 (E_RNA)
where:
Base-Base interactions energy: -131.925
where: short stacking energy: -83.203
Base-Backbone interact. energy: 1.381
local terms energy: -129.844049
where:
bonds (distance) C4'-P energy: -32.754
bonds (distance) P-C4' energy: -31.507
flat angles C4'-P-C4' energy: -33.317
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -180.637971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.637971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.637971 (E_RNA)
where:
Base-Base interactions energy: -63.897
where: short stacking energy: -45.518
Base-Backbone interact. energy: -0.801
local terms energy: -115.939878
where:
bonds (distance) C4'-P energy: -31.162
bonds (distance) P-C4' energy: -33.507
flat angles C4'-P-C4' energy: -27.083
flat angles P-C4'-P energy: -22.867
tors. eta vs tors. theta energy: -1.320
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: 5
Temperature: 1.250000
Total energy: -165.703412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.703412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.703412 (E_RNA)
where:
Base-Base interactions energy: -60.963
where: short stacking energy: -54.635
Base-Backbone interact. energy: 0.368
local terms energy: -105.108944
where:
bonds (distance) C4'-P energy: -31.996
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -199.251150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.251150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.251150 (E_RNA)
where:
Base-Base interactions energy: -86.424
where: short stacking energy: -48.878
Base-Backbone interact. energy: 0.440
local terms energy: -113.267812
where:
bonds (distance) C4'-P energy: -27.181
bonds (distance) P-C4' energy: -35.038
flat angles C4'-P-C4' energy: -31.338
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -136.897757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.897757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.897757 (E_RNA)
where:
Base-Base interactions energy: -38.343
where: short stacking energy: -35.669
Base-Backbone interact. energy: -0.250
local terms energy: -98.304503
where:
bonds (distance) C4'-P energy: -29.765
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: 10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -419.046777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.046777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.046777 (E_RNA)
where:
Base-Base interactions energy: -253.973
where: short stacking energy: -116.131
Base-Backbone interact. energy: 0.192
local terms energy: -165.266169
where:
bonds (distance) C4'-P energy: -36.801
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -38.802
flat angles P-C4'-P energy: -29.046
tors. eta vs tors. theta energy: -27.401
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: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -378.808703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.808703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.808703 (E_RNA)
where:
Base-Base interactions energy: -221.101
where: short stacking energy: -118.258
Base-Backbone interact. energy: -0.573
local terms energy: -157.133873
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -37.677
flat angles C4'-P-C4' energy: -40.191
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -33.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -324.031718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.031718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.031718 (E_RNA)
where:
Base-Base interactions energy: -186.732
where: short stacking energy: -97.278
Base-Backbone interact. energy: -0.291
local terms energy: -137.008107
where:
bonds (distance) C4'-P energy: -31.008
bonds (distance) P-C4' energy: -32.505
flat angles C4'-P-C4' energy: -33.024
flat angles P-C4'-P energy: -18.126
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: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -268.319484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.319484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.319484 (E_RNA)
where:
Base-Base interactions energy: -132.724
where: short stacking energy: -79.873
Base-Backbone interact. energy: -0.312
local terms energy: -135.282587
where:
bonds (distance) C4'-P energy: -32.253
bonds (distance) P-C4' energy: -35.208
flat angles C4'-P-C4' energy: -31.208
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -273.922356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.922356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.922356 (E_RNA)
where:
Base-Base interactions energy: -139.777
where: short stacking energy: -90.962
Base-Backbone interact. energy: -0.712
local terms energy: -133.433227
where:
bonds (distance) C4'-P energy: -35.068
bonds (distance) P-C4' energy: -31.622
flat angles C4'-P-C4' energy: -24.940
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -21.537
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: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -274.233382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.233382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.233382 (E_RNA)
where:
Base-Base interactions energy: -151.393
where: short stacking energy: -87.749
Base-Backbone interact. energy: 0.411
local terms energy: -123.251107
where:
bonds (distance) C4'-P energy: -33.930
bonds (distance) P-C4' energy: -34.899
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -16.942
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -223.720409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.720409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.720409 (E_RNA)
where:
Base-Base interactions energy: -121.230
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.637
local terms energy: -101.853478
where:
bonds (distance) C4'-P energy: -32.695
bonds (distance) P-C4' energy: -34.957
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: 2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -162.358327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.358327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.358327 (E_RNA)
where:
Base-Base interactions energy: -46.901
where: short stacking energy: -39.062
Base-Backbone interact. energy: -1.490
local terms energy: -113.966822
where:
bonds (distance) C4'-P energy: -33.950
bonds (distance) P-C4' energy: -37.635
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -5.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -168.160980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.160980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.160980 (E_RNA)
where:
Base-Base interactions energy: -65.468
where: short stacking energy: -56.803
Base-Backbone interact. energy: -1.477
local terms energy: -101.215834
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -33.047
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -167.540035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.540035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.540035 (E_RNA)
where:
Base-Base interactions energy: -67.503
where: short stacking energy: -46.353
Base-Backbone interact. energy: -0.612
local terms energy: -99.425210
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -34.551
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -2.775
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -445.300240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.300240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.300240 (E_RNA)
where:
Base-Base interactions energy: -264.594
where: short stacking energy: -123.375
Base-Backbone interact. energy: -0.505
local terms energy: -180.200908
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -41.929
flat angles C4'-P-C4' energy: -42.340
flat angles P-C4'-P energy: -23.549
tors. eta vs tors. theta energy: -36.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -353.323613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.323613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.323613 (E_RNA)
where:
Base-Base interactions energy: -194.473
where: short stacking energy: -97.308
Base-Backbone interact. energy: -1.586
local terms energy: -157.265226
where:
bonds (distance) C4'-P energy: -44.159
bonds (distance) P-C4' energy: -34.861
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -28.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -353.212097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.212097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.212097 (E_RNA)
where:
Base-Base interactions energy: -210.448
where: short stacking energy: -98.832
Base-Backbone interact. energy: -1.739
local terms energy: -141.025007
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -39.431
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -272.951496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.951496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.951496 (E_RNA)
where:
Base-Base interactions energy: -128.836
where: short stacking energy: -75.489
Base-Backbone interact. energy: -0.235
local terms energy: -143.880733
where:
bonds (distance) C4'-P energy: -34.777
bonds (distance) P-C4' energy: -33.638
flat angles C4'-P-C4' energy: -32.623
flat angles P-C4'-P energy: -22.972
tors. eta vs tors. theta energy: -19.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -264.114753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.114753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.114753 (E_RNA)
where:
Base-Base interactions energy: -137.443
where: short stacking energy: -74.623
Base-Backbone interact. energy: 1.039
local terms energy: -127.710419
where:
bonds (distance) C4'-P energy: -30.778
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -30.063
flat angles P-C4'-P energy: -26.609
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -254.945707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.945707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.945707 (E_RNA)
where:
Base-Base interactions energy: -138.251
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.408
local terms energy: -116.287382
where:
bonds (distance) C4'-P energy: -30.636
bonds (distance) P-C4' energy: -35.824
flat angles C4'-P-C4' energy: -29.700
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -245.681104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.681104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.681104 (E_RNA)
where:
Base-Base interactions energy: -124.615
where: short stacking energy: -72.729
Base-Backbone interact. energy: 1.449
local terms energy: -122.515150
where:
bonds (distance) C4'-P energy: -33.917
bonds (distance) P-C4' energy: -27.638
flat angles C4'-P-C4' energy: -32.863
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -8.596
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: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -163.489261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.489261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.489261 (E_RNA)
where:
Base-Base interactions energy: -53.610
where: short stacking energy: -43.600
Base-Backbone interact. energy: -0.347
local terms energy: -109.532338
where:
bonds (distance) C4'-P energy: -33.177
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -23.595
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -161.249733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.249733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.249733 (E_RNA)
where:
Base-Base interactions energy: -62.492
where: short stacking energy: -46.394
Base-Backbone interact. energy: 6.625
local terms energy: -105.383146
where:
bonds (distance) C4'-P energy: -29.995
bonds (distance) P-C4' energy: -31.726
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -4.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -154.055574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.055574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.055574 (E_RNA)
where:
Base-Base interactions energy: -58.636
where: short stacking energy: -29.929
Base-Backbone interact. energy: -2.716
local terms energy: -92.702989
where:
bonds (distance) C4'-P energy: -29.703
bonds (distance) P-C4' energy: -30.488
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: 6.839
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: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -449.632244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.632244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.632244 (E_RNA)
where:
Base-Base interactions energy: -293.620
where: short stacking energy: -126.472
Base-Backbone interact. energy: -0.766
local terms energy: -155.246107
where:
bonds (distance) C4'-P energy: -33.197
bonds (distance) P-C4' energy: -34.351
flat angles C4'-P-C4' energy: -34.951
flat angles P-C4'-P energy: -21.250
tors. eta vs tors. theta energy: -31.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -365.129610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.129610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.129610 (E_RNA)
where:
Base-Base interactions energy: -213.318
where: short stacking energy: -105.735
Base-Backbone interact. energy: -0.497
local terms energy: -151.315061
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -38.446
flat angles C4'-P-C4' energy: -31.390
flat angles P-C4'-P energy: -25.232
tors. eta vs tors. theta energy: -22.990
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: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -392.865749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.865749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.865749 (E_RNA)
where:
Base-Base interactions energy: -228.283
where: short stacking energy: -129.448
Base-Backbone interact. energy: -2.670
local terms energy: -161.912747
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -34.523
flat angles C4'-P-C4' energy: -39.840
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: -37.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -281.494093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.494093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.494093 (E_RNA)
where:
Base-Base interactions energy: -148.305
where: short stacking energy: -90.306
Base-Backbone interact. energy: -0.234
local terms energy: -132.955962
where:
bonds (distance) C4'-P energy: -30.786
bonds (distance) P-C4' energy: -38.945
flat angles C4'-P-C4' energy: -27.196
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -281.625565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.625565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.625565 (E_RNA)
where:
Base-Base interactions energy: -159.719
where: short stacking energy: -74.635
Base-Backbone interact. energy: -2.165
local terms energy: -119.742097
where:
bonds (distance) C4'-P energy: -30.118
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -10.701
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: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -239.283128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.283128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.283128 (E_RNA)
where:
Base-Base interactions energy: -117.699
where: short stacking energy: -64.611
Base-Backbone interact. energy: -0.436
local terms energy: -121.148228
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -35.194
flat angles C4'-P-C4' energy: -30.644
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -8.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -270.205497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.205497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.205497 (E_RNA)
where:
Base-Base interactions energy: -144.717
where: short stacking energy: -65.202
Base-Backbone interact. energy: -0.093
local terms energy: -125.395331
where:
bonds (distance) C4'-P energy: -31.953
bonds (distance) P-C4' energy: -33.946
flat angles C4'-P-C4' energy: -29.307
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -188.063959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.063959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.063959 (E_RNA)
where:
Base-Base interactions energy: -67.389
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.269
local terms energy: -120.406200
where:
bonds (distance) C4'-P energy: -33.456
bonds (distance) P-C4' energy: -32.617
flat angles C4'-P-C4' energy: -29.943
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -152.589599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.589599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.589599 (E_RNA)
where:
Base-Base interactions energy: -47.579
where: short stacking energy: -32.006
Base-Backbone interact. energy: 0.519
local terms energy: -105.529560
where:
bonds (distance) C4'-P energy: -33.868
bonds (distance) P-C4' energy: -30.739
flat angles C4'-P-C4' energy: -26.546
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: 3.077
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: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -154.661095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.661095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.661095 (E_RNA)
where:
Base-Base interactions energy: -50.496
where: short stacking energy: -34.376
Base-Backbone interact. energy: -0.140
local terms energy: -104.025199
where:
bonds (distance) C4'-P energy: -36.629
bonds (distance) P-C4' energy: -29.642
flat angles C4'-P-C4' energy: -28.376
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: 7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -457.213681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.213681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.213681 (E_RNA)
where:
Base-Base interactions energy: -284.676
where: short stacking energy: -134.132
Base-Backbone interact. energy: -0.875
local terms energy: -171.662902
where:
bonds (distance) C4'-P energy: -33.077
bonds (distance) P-C4' energy: -36.994
flat angles C4'-P-C4' energy: -42.897
flat angles P-C4'-P energy: -24.531
tors. eta vs tors. theta energy: -34.163
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: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -367.273337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.273337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.273337 (E_RNA)
where:
Base-Base interactions energy: -211.490
where: short stacking energy: -108.588
Base-Backbone interact. energy: -1.752
local terms energy: -154.031346
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -42.209
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -27.677
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: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -322.234992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.234992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.234992 (E_RNA)
where:
Base-Base interactions energy: -184.291
where: short stacking energy: -94.175
Base-Backbone interact. energy: 0.691
local terms energy: -138.635812
where:
bonds (distance) C4'-P energy: -35.991
bonds (distance) P-C4' energy: -33.192
flat angles C4'-P-C4' energy: -36.586
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -14.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -315.241875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.241875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.241875 (E_RNA)
where:
Base-Base interactions energy: -182.347
where: short stacking energy: -87.025
Base-Backbone interact. energy: -1.755
local terms energy: -131.140117
where:
bonds (distance) C4'-P energy: -36.219
bonds (distance) P-C4' energy: -29.903
flat angles C4'-P-C4' energy: -28.067
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -23.330
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: 5, replica: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -293.265134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.265134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.265134 (E_RNA)
where:
Base-Base interactions energy: -165.753
where: short stacking energy: -89.065
Base-Backbone interact. energy: -0.703
local terms energy: -126.809380
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -35.612
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -16.322
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: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -265.459666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.459666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.459666 (E_RNA)
where:
Base-Base interactions energy: -137.302
where: short stacking energy: -68.136
Base-Backbone interact. energy: 0.056
local terms energy: -128.213885
where:
bonds (distance) C4'-P energy: -35.052
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -27.182
flat angles P-C4'-P energy: -19.830
tors. eta vs tors. theta energy: -8.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -207.872865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.872865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.872865 (E_RNA)
where:
Base-Base interactions energy: -72.720
where: short stacking energy: -59.532
Base-Backbone interact. energy: 1.965
local terms energy: -137.118078
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -37.652
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -28.291
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -173.731736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.731736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.731736 (E_RNA)
where:
Base-Base interactions energy: -68.134
where: short stacking energy: -36.978
Base-Backbone interact. energy: -0.816
local terms energy: -104.781577
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -34.025
flat angles C4'-P-C4' energy: -28.255
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -165.813057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.813057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.813057 (E_RNA)
where:
Base-Base interactions energy: -74.196
where: short stacking energy: -48.734
Base-Backbone interact. energy: -0.143
local terms energy: -91.473735
where:
bonds (distance) C4'-P energy: -31.437
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -30.095
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: 1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -155.009027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.009027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.009027 (E_RNA)
where:
Base-Base interactions energy: -51.067
where: short stacking energy: -26.187
Base-Backbone interact. energy: -1.278
local terms energy: -102.663814
where:
bonds (distance) C4'-P energy: -29.541
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -24.745
tors. eta vs tors. theta energy: -0.758
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: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -472.392845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.392845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.392845 (E_RNA)
where:
Base-Base interactions energy: -292.967
where: short stacking energy: -136.410
Base-Backbone interact. energy: -2.423
local terms energy: -177.003477
where:
bonds (distance) C4'-P energy: -35.118
bonds (distance) P-C4' energy: -36.478
flat angles C4'-P-C4' energy: -40.771
flat angles P-C4'-P energy: -25.658
tors. eta vs tors. theta energy: -38.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -393.277425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.277425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.277425 (E_RNA)
where:
Base-Base interactions energy: -235.080
where: short stacking energy: -110.073
Base-Backbone interact. energy: -0.995
local terms energy: -157.202701
where:
bonds (distance) C4'-P energy: -34.764
bonds (distance) P-C4' energy: -32.307
flat angles C4'-P-C4' energy: -41.538
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -31.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -313.626095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.626095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.626095 (E_RNA)
where:
Base-Base interactions energy: -164.565
where: short stacking energy: -79.693
Base-Backbone interact. energy: -0.140
local terms energy: -148.920503
where:
bonds (distance) C4'-P energy: -34.363
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -32.860
flat angles P-C4'-P energy: -27.024
tors. eta vs tors. theta energy: -22.177
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: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -316.060724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.060724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.060724 (E_RNA)
where:
Base-Base interactions energy: -176.661
where: short stacking energy: -89.652
Base-Backbone interact. energy: -0.282
local terms energy: -139.117424
where:
bonds (distance) C4'-P energy: -40.355
bonds (distance) P-C4' energy: -28.566
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: -26.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -284.565410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.565410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.565410 (E_RNA)
where:
Base-Base interactions energy: -153.103
where: short stacking energy: -84.044
Base-Backbone interact. energy: -1.295
local terms energy: -130.167027
where:
bonds (distance) C4'-P energy: -31.815
bonds (distance) P-C4' energy: -41.061
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -247.880237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.880237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.880237 (E_RNA)
where:
Base-Base interactions energy: -126.932
where: short stacking energy: -70.813
Base-Backbone interact. energy: 0.854
local terms energy: -121.803108
where:
bonds (distance) C4'-P energy: -34.025
bonds (distance) P-C4' energy: -32.544
flat angles C4'-P-C4' energy: -27.837
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -189.652348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.652348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.652348 (E_RNA)
where:
Base-Base interactions energy: -59.824
where: short stacking energy: -59.258
Base-Backbone interact. energy: -0.157
local terms energy: -129.671465
where:
bonds (distance) C4'-P energy: -34.807
bonds (distance) P-C4' energy: -33.566
flat angles C4'-P-C4' energy: -27.657
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -12.695
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: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -180.292743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.292743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.292743 (E_RNA)
where:
Base-Base interactions energy: -68.910
where: short stacking energy: -54.393
Base-Backbone interact. energy: -0.372
local terms energy: -111.010171
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -34.000
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -16.364
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: 9, replica: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -163.831829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.831829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.831829 (E_RNA)
where:
Base-Base interactions energy: -55.348
where: short stacking energy: -45.231
Base-Backbone interact. energy: -1.597
local terms energy: -106.886321
where:
bonds (distance) C4'-P energy: -31.073
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -31.769
flat angles P-C4'-P energy: -20.336
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: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -158.296576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.296576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.296576 (E_RNA)
where:
Base-Base interactions energy: -55.744
where: short stacking energy: -37.126
Base-Backbone interact. energy: -0.697
local terms energy: -101.854907
where:
bonds (distance) C4'-P energy: -29.098
bonds (distance) P-C4' energy: -28.905
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -16.846
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: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -454.803733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.803733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.803733 (E_RNA)
where:
Base-Base interactions energy: -278.052
where: short stacking energy: -130.656
Base-Backbone interact. energy: -0.228
local terms energy: -176.523285
where:
bonds (distance) C4'-P energy: -36.945
bonds (distance) P-C4' energy: -34.237
flat angles C4'-P-C4' energy: -39.326
flat angles P-C4'-P energy: -29.514
tors. eta vs tors. theta energy: -36.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -373.587918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.587918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.587918 (E_RNA)
where:
Base-Base interactions energy: -221.195
where: short stacking energy: -92.887
Base-Backbone interact. energy: -2.042
local terms energy: -150.351553
where:
bonds (distance) C4'-P energy: -29.479
bonds (distance) P-C4' energy: -42.795
flat angles C4'-P-C4' energy: -33.574
flat angles P-C4'-P energy: -31.808
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -378.983766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.983766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.983766 (E_RNA)
where:
Base-Base interactions energy: -217.021
where: short stacking energy: -101.013
Base-Backbone interact. energy: -1.582
local terms energy: -160.380643
where:
bonds (distance) C4'-P energy: -37.524
bonds (distance) P-C4' energy: -39.622
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -22.934
tors. eta vs tors. theta energy: -26.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -341.906256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.906256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.906256 (E_RNA)
where:
Base-Base interactions energy: -194.606
where: short stacking energy: -106.282
Base-Backbone interact. energy: -1.536
local terms energy: -145.764137
where:
bonds (distance) C4'-P energy: -32.638
bonds (distance) P-C4' energy: -28.991
flat angles C4'-P-C4' energy: -36.376
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -272.244542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.244542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.244542 (E_RNA)
where:
Base-Base interactions energy: -148.445
where: short stacking energy: -85.794
Base-Backbone interact. energy: 0.825
local terms energy: -124.624394
where:
bonds (distance) C4'-P energy: -30.263
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -216.055762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.055762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.055762 (E_RNA)
where:
Base-Base interactions energy: -81.221
where: short stacking energy: -73.333
Base-Backbone interact. energy: 0.586
local terms energy: -135.420797
where:
bonds (distance) C4'-P energy: -33.074
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -34.477
flat angles P-C4'-P energy: -20.431
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: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -172.165015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.165015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.165015 (E_RNA)
where:
Base-Base interactions energy: -60.388
where: short stacking energy: -34.274
Base-Backbone interact. energy: -0.486
local terms energy: -111.291201
where:
bonds (distance) C4'-P energy: -29.252
bonds (distance) P-C4' energy: -35.877
flat angles C4'-P-C4' energy: -27.731
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: 6.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -196.377275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.377275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.377275 (E_RNA)
where:
Base-Base interactions energy: -79.934
where: short stacking energy: -55.516
Base-Backbone interact. energy: -0.680
local terms energy: -115.763327
where:
bonds (distance) C4'-P energy: -34.959
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -27.790
flat angles P-C4'-P energy: -21.091
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: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -165.000940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.000940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.000940 (E_RNA)
where:
Base-Base interactions energy: -52.180
where: short stacking energy: -43.393
Base-Backbone interact. energy: -1.664
local terms energy: -111.156880
where:
bonds (distance) C4'-P energy: -36.035
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -25.046
flat angles P-C4'-P energy: -18.032
tors. eta vs tors. theta energy: 1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -141.378416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.378416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.378416 (E_RNA)
where:
Base-Base interactions energy: -41.255
where: short stacking energy: -36.515
Base-Backbone interact. energy: -1.032
local terms energy: -99.091355
where:
bonds (distance) C4'-P energy: -28.537
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: 0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -462.123496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.123496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.123496 (E_RNA)
where:
Base-Base interactions energy: -302.448
where: short stacking energy: -122.254
Base-Backbone interact. energy: -1.197
local terms energy: -158.478736
where:
bonds (distance) C4'-P energy: -34.624
bonds (distance) P-C4' energy: -29.050
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -25.215
tors. eta vs tors. theta energy: -30.890
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: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -399.969938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.969938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.969938 (E_RNA)
where:
Base-Base interactions energy: -255.262
where: short stacking energy: -101.194
Base-Backbone interact. energy: -1.104
local terms energy: -143.603942
where:
bonds (distance) C4'-P energy: -26.055
bonds (distance) P-C4' energy: -30.448
flat angles C4'-P-C4' energy: -33.653
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -28.048
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: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -429.165470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.165470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.165470 (E_RNA)
where:
Base-Base interactions energy: -279.334
where: short stacking energy: -121.509
Base-Backbone interact. energy: -0.451
local terms energy: -149.380553
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -33.532
flat angles C4'-P-C4' energy: -28.912
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -31.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -375.531293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.531293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.531293 (E_RNA)
where:
Base-Base interactions energy: -242.527
where: short stacking energy: -88.029
Base-Backbone interact. energy: 1.411
local terms energy: -134.415660
where:
bonds (distance) C4'-P energy: -34.171
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -31.561
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -280.666620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.666620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.666620 (E_RNA)
where:
Base-Base interactions energy: -154.934
where: short stacking energy: -92.853
Base-Backbone interact. energy: -0.618
local terms energy: -125.114338
where:
bonds (distance) C4'-P energy: -30.028
bonds (distance) P-C4' energy: -27.501
flat angles C4'-P-C4' energy: -26.624
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -197.497317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.497317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.497317 (E_RNA)
where:
Base-Base interactions energy: -72.032
where: short stacking energy: -72.031
Base-Backbone interact. energy: 0.170
local terms energy: -125.634779
where:
bonds (distance) C4'-P energy: -31.264
bonds (distance) P-C4' energy: -34.839
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -19.566
tors. eta vs tors. theta energy: -12.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -182.989691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.989691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.989691 (E_RNA)
where:
Base-Base interactions energy: -66.797
where: short stacking energy: -65.724
Base-Backbone interact. energy: -1.918
local terms energy: -114.274081
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -35.524
flat angles C4'-P-C4' energy: -29.183
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -5.970
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: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -189.098797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.098797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.098797 (E_RNA)
where:
Base-Base interactions energy: -79.578
where: short stacking energy: -53.804
Base-Backbone interact. energy: -0.275
local terms energy: -109.245943
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -36.907
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: 1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -169.339583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.339583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.339583 (E_RNA)
where:
Base-Base interactions energy: -72.390
where: short stacking energy: -44.761
Base-Backbone interact. energy: -0.780
local terms energy: -96.169931
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -27.907
flat angles C4'-P-C4' energy: -28.789
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: 6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -152.817589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.817589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.817589 (E_RNA)
where:
Base-Base interactions energy: -56.278
where: short stacking energy: -49.784
Base-Backbone interact. energy: -1.160
local terms energy: -95.379106
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -23.506
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -459.118398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.118398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.118398 (E_RNA)
where:
Base-Base interactions energy: -304.517
where: short stacking energy: -119.995
Base-Backbone interact. energy: -1.081
local terms energy: -153.520996
where:
bonds (distance) C4'-P energy: -26.299
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -34.548
flat angles P-C4'-P energy: -32.075
tors. eta vs tors. theta energy: -29.076
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: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -441.385337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.385337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.385337 (E_RNA)
where:
Base-Base interactions energy: -284.573
where: short stacking energy: -101.959
Base-Backbone interact. energy: 0.139
local terms energy: -156.951047
where:
bonds (distance) C4'-P energy: -34.173
bonds (distance) P-C4' energy: -37.242
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -36.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -400.330072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.330072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.330072 (E_RNA)
where:
Base-Base interactions energy: -241.384
where: short stacking energy: -125.730
Base-Backbone interact. energy: -0.437
local terms energy: -158.509267
where:
bonds (distance) C4'-P energy: -27.801
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -37.759
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: -36.460
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: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -411.696520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.696520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.696520 (E_RNA)
where:
Base-Base interactions energy: -261.690
where: short stacking energy: -121.531
Base-Backbone interact. energy: 0.348
local terms energy: -150.354480
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -34.095
flat angles C4'-P-C4' energy: -36.063
flat angles P-C4'-P energy: -25.205
tors. eta vs tors. theta energy: -27.380
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: 10
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -290.640263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.640263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.640263 (E_RNA)
where:
Base-Base interactions energy: -155.042
where: short stacking energy: -98.794
Base-Backbone interact. energy: -0.308
local terms energy: -135.290537
where:
bonds (distance) C4'-P energy: -28.525
bonds (distance) P-C4' energy: -31.027
flat angles C4'-P-C4' energy: -24.105
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -28.136
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: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -211.085776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.085776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.085776 (E_RNA)
where:
Base-Base interactions energy: -79.872
where: short stacking energy: -70.741
Base-Backbone interact. energy: -0.527
local terms energy: -130.686710
where:
bonds (distance) C4'-P energy: -34.503
bonds (distance) P-C4' energy: -32.718
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -196.621773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.621773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.621773 (E_RNA)
where:
Base-Base interactions energy: -85.022
where: short stacking energy: -49.359
Base-Backbone interact. energy: -0.313
local terms energy: -111.286522
where:
bonds (distance) C4'-P energy: -31.804
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: -9.433
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: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -168.406262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.406262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.406262 (E_RNA)
where:
Base-Base interactions energy: -55.009
where: short stacking energy: -51.290
Base-Backbone interact. energy: -0.240
local terms energy: -113.157665
where:
bonds (distance) C4'-P energy: -35.824
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -25.848
flat angles P-C4'-P energy: -18.315
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: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -150.975498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.975498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.975498 (E_RNA)
where:
Base-Base interactions energy: -38.963
where: short stacking energy: -39.535
Base-Backbone interact. energy: -0.693
local terms energy: -111.320121
where:
bonds (distance) C4'-P energy: -34.927
bonds (distance) P-C4' energy: -28.326
flat angles C4'-P-C4' energy: -29.766
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -173.702255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.702255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.702255 (E_RNA)
where:
Base-Base interactions energy: -68.201
where: short stacking energy: -50.943
Base-Backbone interact. energy: -0.554
local terms energy: -104.947971
where:
bonds (distance) C4'-P energy: -27.332
bonds (distance) P-C4' energy: -19.988
flat angles C4'-P-C4' energy: -26.919
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -485.617687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.617687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.617687 (E_RNA)
where:
Base-Base interactions energy: -329.763
where: short stacking energy: -123.636
Base-Backbone interact. energy: -1.085
local terms energy: -154.769645
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -38.113
flat angles C4'-P-C4' energy: -32.936
flat angles P-C4'-P energy: -23.474
tors. eta vs tors. theta energy: -30.875
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: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -453.919769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.919769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.919769 (E_RNA)
where:
Base-Base interactions energy: -300.314
where: short stacking energy: -118.649
Base-Backbone interact. energy: -1.662
local terms energy: -151.943478
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -35.061
flat angles C4'-P-C4' energy: -34.856
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -31.203
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: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -410.118365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.118365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.118365 (E_RNA)
where:
Base-Base interactions energy: -261.134
where: short stacking energy: -118.337
Base-Backbone interact. energy: -0.710
local terms energy: -148.273857
where:
bonds (distance) C4'-P energy: -26.528
bonds (distance) P-C4' energy: -35.505
flat angles C4'-P-C4' energy: -30.835
flat angles P-C4'-P energy: -22.838
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: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -381.289042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.289042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.289042 (E_RNA)
where:
Base-Base interactions energy: -237.271
where: short stacking energy: -104.237
Base-Backbone interact. energy: -0.792
local terms energy: -143.226236
where:
bonds (distance) C4'-P energy: -26.471
bonds (distance) P-C4' energy: -33.059
flat angles C4'-P-C4' energy: -33.452
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -29.066
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: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -287.361078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.361078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.361078 (E_RNA)
where:
Base-Base interactions energy: -159.129
where: short stacking energy: -98.658
Base-Backbone interact. energy: -1.995
local terms energy: -126.237267
where:
bonds (distance) C4'-P energy: -29.647
bonds (distance) P-C4' energy: -26.074
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -218.898890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.898890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.898890 (E_RNA)
where:
Base-Base interactions energy: -97.045
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.539
local terms energy: -121.314558
where:
bonds (distance) C4'-P energy: -27.772
bonds (distance) P-C4' energy: -34.610
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -210.833861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.833861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.833861 (E_RNA)
where:
Base-Base interactions energy: -92.207
where: short stacking energy: -43.370
Base-Backbone interact. energy: -0.344
local terms energy: -118.282864
where:
bonds (distance) C4'-P energy: -33.549
bonds (distance) P-C4' energy: -30.474
flat angles C4'-P-C4' energy: -36.941
flat angles P-C4'-P energy: -20.014
tors. eta vs tors. theta energy: 2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -204.629768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.629768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.629768 (E_RNA)
where:
Base-Base interactions energy: -86.374
where: short stacking energy: -58.602
Base-Backbone interact. energy: 0.195
local terms energy: -118.451116
where:
bonds (distance) C4'-P energy: -31.974
bonds (distance) P-C4' energy: -32.442
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: 0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -190.235088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.235088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.235088 (E_RNA)
where:
Base-Base interactions energy: -72.023
where: short stacking energy: -61.086
Base-Backbone interact. energy: 1.606
local terms energy: -119.818117
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -25.236
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -19.385
tors. eta vs tors. theta energy: -21.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -171.540944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.540944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.540944 (E_RNA)
where:
Base-Base interactions energy: -79.468
where: short stacking energy: -39.276
Base-Backbone interact. energy: -0.562
local terms energy: -91.510962
where:
bonds (distance) C4'-P energy: -32.824
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: 7.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -519.054431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.054431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.054431 (E_RNA)
where:
Base-Base interactions energy: -346.423
where: short stacking energy: -123.593
Base-Backbone interact. energy: -0.645
local terms energy: -171.986860
where:
bonds (distance) C4'-P energy: -31.867
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -38.843
flat angles P-C4'-P energy: -23.686
tors. eta vs tors. theta energy: -40.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -473.418278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.418278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.418278 (E_RNA)
where:
Base-Base interactions energy: -289.140
where: short stacking energy: -131.287
Base-Backbone interact. energy: -1.712
local terms energy: -182.565615
where:
bonds (distance) C4'-P energy: -30.690
bonds (distance) P-C4' energy: -38.733
flat angles C4'-P-C4' energy: -42.022
flat angles P-C4'-P energy: -32.353
tors. eta vs tors. theta energy: -38.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -406.115531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.115531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.115531 (E_RNA)
where:
Base-Base interactions energy: -260.593
where: short stacking energy: -118.656
Base-Backbone interact. energy: -0.742
local terms energy: -144.779706
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -36.444
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -25.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -308.200003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.200003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.200003 (E_RNA)
where:
Base-Base interactions energy: -159.915
where: short stacking energy: -85.652
Base-Backbone interact. energy: -0.172
local terms energy: -148.112721
where:
bonds (distance) C4'-P energy: -35.602
bonds (distance) P-C4' energy: -32.070
flat angles C4'-P-C4' energy: -38.042
flat angles P-C4'-P energy: -19.924
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: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -265.962530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.962530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.962530 (E_RNA)
where:
Base-Base interactions energy: -125.607
where: short stacking energy: -79.722
Base-Backbone interact. energy: -0.223
local terms energy: -140.132225
where:
bonds (distance) C4'-P energy: -28.973
bonds (distance) P-C4' energy: -35.223
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -19.083
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -221.253484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.253484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.253484 (E_RNA)
where:
Base-Base interactions energy: -111.187
where: short stacking energy: -79.659
Base-Backbone interact. energy: -0.452
local terms energy: -109.614832
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -32.227
flat angles C4'-P-C4' energy: -32.286
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -205.620069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.620069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.620069 (E_RNA)
where:
Base-Base interactions energy: -100.851
where: short stacking energy: -49.032
Base-Backbone interact. energy: -0.711
local terms energy: -104.057564
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -32.337
flat angles C4'-P-C4' energy: -25.663
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: 4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -209.161030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.161030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.161030 (E_RNA)
where:
Base-Base interactions energy: -96.345
where: short stacking energy: -65.193
Base-Backbone interact. energy: -1.307
local terms energy: -111.509292
where:
bonds (distance) C4'-P energy: -30.546
bonds (distance) P-C4' energy: -32.443
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -165.668687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.668687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.668687 (E_RNA)
where:
Base-Base interactions energy: -47.171
where: short stacking energy: -31.519
Base-Backbone interact. energy: -0.642
local terms energy: -117.855874
where:
bonds (distance) C4'-P energy: -34.144
bonds (distance) P-C4' energy: -34.963
flat angles C4'-P-C4' energy: -25.878
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -141.517720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.517720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.517720 (E_RNA)
where:
Base-Base interactions energy: -38.680
where: short stacking energy: -32.066
Base-Backbone interact. energy: 1.513
local terms energy: -104.351319
where:
bonds (distance) C4'-P energy: -35.131
bonds (distance) P-C4' energy: -36.208
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: 7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -514.922137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.922137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.922137 (E_RNA)
where:
Base-Base interactions energy: -347.725
where: short stacking energy: -134.071
Base-Backbone interact. energy: -1.324
local terms energy: -165.872852
where:
bonds (distance) C4'-P energy: -32.462
bonds (distance) P-C4' energy: -37.075
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -23.583
tors. eta vs tors. theta energy: -39.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -478.607670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.607670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.607670 (E_RNA)
where:
Base-Base interactions energy: -308.399
where: short stacking energy: -141.719
Base-Backbone interact. energy: 1.503
local terms energy: -171.711487
where:
bonds (distance) C4'-P energy: -31.644
bonds (distance) P-C4' energy: -36.625
flat angles C4'-P-C4' energy: -37.140
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -41.595
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: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -421.266997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.266997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.266997 (E_RNA)
where:
Base-Base interactions energy: -270.039
where: short stacking energy: -124.000
Base-Backbone interact. energy: 0.121
local terms energy: -151.348995
where:
bonds (distance) C4'-P energy: -34.989
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -33.026
flat angles P-C4'-P energy: -23.431
tors. eta vs tors. theta energy: -32.694
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: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -282.054330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.054330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.054330 (E_RNA)
where:
Base-Base interactions energy: -152.007
where: short stacking energy: -80.358
Base-Backbone interact. energy: -0.255
local terms energy: -129.791579
where:
bonds (distance) C4'-P energy: -27.742
bonds (distance) P-C4' energy: -35.852
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -19.458
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: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -297.722990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.722990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.722990 (E_RNA)
where:
Base-Base interactions energy: -151.237
where: short stacking energy: -94.304
Base-Backbone interact. energy: -0.299
local terms energy: -146.187844
where:
bonds (distance) C4'-P energy: -37.337
bonds (distance) P-C4' energy: -32.343
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -22.564
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: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -232.237732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.237732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.237732 (E_RNA)
where:
Base-Base interactions energy: -112.404
where: short stacking energy: -61.585
Base-Backbone interact. energy: -1.336
local terms energy: -118.497083
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -39.053
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -192.300752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.300752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.300752 (E_RNA)
where:
Base-Base interactions energy: -78.821
where: short stacking energy: -52.474
Base-Backbone interact. energy: -0.565
local terms energy: -112.915142
where:
bonds (distance) C4'-P energy: -29.265
bonds (distance) P-C4' energy: -28.134
flat angles C4'-P-C4' energy: -34.115
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -0.738
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: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -173.887645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.887645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.887645 (E_RNA)
where:
Base-Base interactions energy: -69.120
where: short stacking energy: -47.038
Base-Backbone interact. energy: -1.469
local terms energy: -103.299181
where:
bonds (distance) C4'-P energy: -32.129
bonds (distance) P-C4' energy: -27.976
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -161.364328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.364328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.364328 (E_RNA)
where:
Base-Base interactions energy: -58.696
where: short stacking energy: -34.091
Base-Backbone interact. energy: -0.660
local terms energy: -102.007680
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -34.654
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -143.509953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.509953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.509953 (E_RNA)
where:
Base-Base interactions energy: -41.664
where: short stacking energy: -28.170
Base-Backbone interact. energy: -1.653
local terms energy: -100.192738
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -28.272
flat angles C4'-P-C4' energy: -32.321
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: 4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -513.753305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.753305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.753305 (E_RNA)
where:
Base-Base interactions energy: -352.284
where: short stacking energy: -143.943
Base-Backbone interact. energy: -1.493
local terms energy: -159.975817
where:
bonds (distance) C4'-P energy: -31.904
bonds (distance) P-C4' energy: -38.139
flat angles C4'-P-C4' energy: -31.555
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: -40.251
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: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -467.630176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.630176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.630176 (E_RNA)
where:
Base-Base interactions energy: -297.180
where: short stacking energy: -129.880
Base-Backbone interact. energy: -0.322
local terms energy: -170.128500
where:
bonds (distance) C4'-P energy: -38.632
bonds (distance) P-C4' energy: -35.134
flat angles C4'-P-C4' energy: -37.679
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -37.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -417.995144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.995144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.995144 (E_RNA)
where:
Base-Base interactions energy: -258.346
where: short stacking energy: -128.354
Base-Backbone interact. energy: 2.412
local terms energy: -162.061881
where:
bonds (distance) C4'-P energy: -28.361
bonds (distance) P-C4' energy: -36.209
flat angles C4'-P-C4' energy: -37.222
flat angles P-C4'-P energy: -28.895
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: 17
Temperature: 1.050000
Total energy: -326.490853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.490853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.490853 (E_RNA)
where:
Base-Base interactions energy: -187.137
where: short stacking energy: -102.504
Base-Backbone interact. energy: -0.667
local terms energy: -138.686315
where:
bonds (distance) C4'-P energy: -32.938
bonds (distance) P-C4' energy: -31.227
flat angles C4'-P-C4' energy: -28.555
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -29.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -265.079542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.079542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.079542 (E_RNA)
where:
Base-Base interactions energy: -153.319
where: short stacking energy: -72.905
Base-Backbone interact. energy: 8.751
local terms energy: -120.511274
where:
bonds (distance) C4'-P energy: -33.066
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -28.019
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: -11.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -187.761410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.761410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.761410 (E_RNA)
where:
Base-Base interactions energy: -67.086
where: short stacking energy: -40.212
Base-Backbone interact. energy: -0.740
local terms energy: -119.935169
where:
bonds (distance) C4'-P energy: -40.528
bonds (distance) P-C4' energy: -31.269
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -28.065
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -189.207222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.207222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.207222 (E_RNA)
where:
Base-Base interactions energy: -89.897
where: short stacking energy: -39.549
Base-Backbone interact. energy: -0.385
local terms energy: -98.924750
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: 1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -164.906350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.906350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.906350 (E_RNA)
where:
Base-Base interactions energy: -63.234
where: short stacking energy: -34.287
Base-Backbone interact. energy: 2.945
local terms energy: -104.617240
where:
bonds (distance) C4'-P energy: -30.963
bonds (distance) P-C4' energy: -29.975
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -24.868
tors. eta vs tors. theta energy: 11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -225.796029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.796029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.796029 (E_RNA)
where:
Base-Base interactions energy: -110.804
where: short stacking energy: -70.603
Base-Backbone interact. energy: -1.715
local terms energy: -113.277245
where:
bonds (distance) C4'-P energy: -25.996
bonds (distance) P-C4' energy: -30.091
flat angles C4'-P-C4' energy: -31.727
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -144.695565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.695565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.695565 (E_RNA)
where:
Base-Base interactions energy: -44.572
where: short stacking energy: -29.853
Base-Backbone interact. energy: -0.858
local terms energy: -99.265469
where:
bonds (distance) C4'-P energy: -35.213
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: 4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -503.841960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.841960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.841960 (E_RNA)
where:
Base-Base interactions energy: -336.616
where: short stacking energy: -139.342
Base-Backbone interact. energy: 0.755
local terms energy: -167.981245
where:
bonds (distance) C4'-P energy: -37.502
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -30.976
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -41.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -463.565743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.565743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.565743 (E_RNA)
where:
Base-Base interactions energy: -298.234
where: short stacking energy: -134.868
Base-Backbone interact. energy: -1.410
local terms energy: -163.921931
where:
bonds (distance) C4'-P energy: -30.486
bonds (distance) P-C4' energy: -32.428
flat angles C4'-P-C4' energy: -34.677
flat angles P-C4'-P energy: -24.302
tors. eta vs tors. theta energy: -42.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -376.098250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.098250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.098250 (E_RNA)
where:
Base-Base interactions energy: -228.374
where: short stacking energy: -101.563
Base-Backbone interact. energy: -0.512
local terms energy: -147.212045
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -30.370
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -24.669
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: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -329.050167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.050167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.050167 (E_RNA)
where:
Base-Base interactions energy: -184.545
where: short stacking energy: -93.592
Base-Backbone interact. energy: -1.252
local terms energy: -143.252826
where:
bonds (distance) C4'-P energy: -31.668
bonds (distance) P-C4' energy: -35.165
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -24.086
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: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -304.893931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.893931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.893931 (E_RNA)
where:
Base-Base interactions energy: -177.407
where: short stacking energy: -93.942
Base-Backbone interact. energy: 0.443
local terms energy: -127.929912
where:
bonds (distance) C4'-P energy: -29.786
bonds (distance) P-C4' energy: -33.746
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -11.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -204.545124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.545124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.545124 (E_RNA)
where:
Base-Base interactions energy: -89.316
where: short stacking energy: -61.301
Base-Backbone interact. energy: -0.841
local terms energy: -114.388222
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -37.407
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -182.361633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.361633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.361633 (E_RNA)
where:
Base-Base interactions energy: -74.642
where: short stacking energy: -53.547
Base-Backbone interact. energy: -1.401
local terms energy: -106.317952
where:
bonds (distance) C4'-P energy: -28.846
bonds (distance) P-C4' energy: -32.744
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -185.142518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.142518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.142518 (E_RNA)
where:
Base-Base interactions energy: -62.413
where: short stacking energy: -47.568
Base-Backbone interact. energy: -0.316
local terms energy: -122.414030
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -35.544
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -8.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -169.997473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.997473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.997473 (E_RNA)
where:
Base-Base interactions energy: -75.935
where: short stacking energy: -44.161
Base-Backbone interact. energy: 3.136
local terms energy: -97.198752
where:
bonds (distance) C4'-P energy: -31.287
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: 1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -157.116369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.116369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.116369 (E_RNA)
where:
Base-Base interactions energy: -56.910
where: short stacking energy: -29.820
Base-Backbone interact. energy: -0.027
local terms energy: -100.178789
where:
bonds (distance) C4'-P energy: -37.370
bonds (distance) P-C4' energy: -29.422
flat angles C4'-P-C4' energy: -29.881
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: 6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -492.252311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.252311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.252311 (E_RNA)
where:
Base-Base interactions energy: -336.104
where: short stacking energy: -143.440
Base-Backbone interact. energy: -1.643
local terms energy: -154.504978
where:
bonds (distance) C4'-P energy: -29.948
bonds (distance) P-C4' energy: -33.433
flat angles C4'-P-C4' energy: -32.256
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -38.548
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: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -458.812221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.812221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.812221 (E_RNA)
where:
Base-Base interactions energy: -292.010
where: short stacking energy: -148.129
Base-Backbone interact. energy: -0.255
local terms energy: -166.547265
where:
bonds (distance) C4'-P energy: -34.109
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -33.893
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -43.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -395.141674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.141674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.141674 (E_RNA)
where:
Base-Base interactions energy: -241.021
where: short stacking energy: -105.930
Base-Backbone interact. energy: -1.190
local terms energy: -152.930233
where:
bonds (distance) C4'-P energy: -35.935
bonds (distance) P-C4' energy: -35.132
flat angles C4'-P-C4' energy: -30.142
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -31.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -348.337882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.337882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.337882 (E_RNA)
where:
Base-Base interactions energy: -210.304
where: short stacking energy: -111.411
Base-Backbone interact. energy: 0.533
local terms energy: -138.566884
where:
bonds (distance) C4'-P energy: -30.668
bonds (distance) P-C4' energy: -30.107
flat angles C4'-P-C4' energy: -37.581
flat angles P-C4'-P energy: -20.447
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -346.938746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.938746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.938746 (E_RNA)
where:
Base-Base interactions energy: -200.156
where: short stacking energy: -98.638
Base-Backbone interact. energy: -1.376
local terms energy: -145.406403
where:
bonds (distance) C4'-P energy: -28.067
bonds (distance) P-C4' energy: -30.861
flat angles C4'-P-C4' energy: -35.534
flat angles P-C4'-P energy: -24.447
tors. eta vs tors. theta energy: -26.496
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: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -178.651381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.651381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.651381 (E_RNA)
where:
Base-Base interactions energy: -70.631
where: short stacking energy: -48.613
Base-Backbone interact. energy: 0.711
local terms energy: -108.731877
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -31.183
flat angles C4'-P-C4' energy: -34.285
flat angles P-C4'-P energy: -20.428
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -209.931051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.931051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.931051 (E_RNA)
where:
Base-Base interactions energy: -92.633
where: short stacking energy: -58.796
Base-Backbone interact. energy: -0.562
local terms energy: -116.735658
where:
bonds (distance) C4'-P energy: -30.579
bonds (distance) P-C4' energy: -32.743
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -188.396890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.396890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.396890 (E_RNA)
where:
Base-Base interactions energy: -89.154
where: short stacking energy: -43.289
Base-Backbone interact. energy: 1.393
local terms energy: -100.636095
where:
bonds (distance) C4'-P energy: -30.600
bonds (distance) P-C4' energy: -28.853
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -6.496
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: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -165.176662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.176662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.176662 (E_RNA)
where:
Base-Base interactions energy: -55.787
where: short stacking energy: -41.038
Base-Backbone interact. energy: 0.090
local terms energy: -109.479080
where:
bonds (distance) C4'-P energy: -30.431
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -25.848
flat angles P-C4'-P energy: -20.922
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: 10, replica: 4
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -150.548177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.548177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.548177 (E_RNA)
where:
Base-Base interactions energy: -38.289
where: short stacking energy: -36.358
Base-Backbone interact. energy: 0.818
local terms energy: -113.076750
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -34.358
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -23.376
tors. eta vs tors. theta energy: -0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -461.486582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.486582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.486582 (E_RNA)
where:
Base-Base interactions energy: -285.240
where: short stacking energy: -138.254
Base-Backbone interact. energy: -0.414
local terms energy: -175.832221
where:
bonds (distance) C4'-P energy: -31.645
bonds (distance) P-C4' energy: -35.752
flat angles C4'-P-C4' energy: -38.911
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: -41.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -469.806585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.806585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.806585 (E_RNA)
where:
Base-Base interactions energy: -311.666
where: short stacking energy: -147.888
Base-Backbone interact. energy: -0.497
local terms energy: -157.643248
where:
bonds (distance) C4'-P energy: -29.964
bonds (distance) P-C4' energy: -30.004
flat angles C4'-P-C4' energy: -36.169
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -39.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -440.668296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.668296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.668296 (E_RNA)
where:
Base-Base interactions energy: -286.127
where: short stacking energy: -115.532
Base-Backbone interact. energy: 0.667
local terms energy: -155.208285
where:
bonds (distance) C4'-P energy: -35.303
bonds (distance) P-C4' energy: -36.843
flat angles C4'-P-C4' energy: -31.861
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -32.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -337.435327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.435327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.435327 (E_RNA)
where:
Base-Base interactions energy: -196.990
where: short stacking energy: -93.375
Base-Backbone interact. energy: -0.378
local terms energy: -140.067728
where:
bonds (distance) C4'-P energy: -37.091
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -28.292
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -24.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -356.807264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.807264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.807264 (E_RNA)
where:
Base-Base interactions energy: -216.873
where: short stacking energy: -91.649
Base-Backbone interact. energy: -0.319
local terms energy: -139.614637
where:
bonds (distance) C4'-P energy: -23.641
bonds (distance) P-C4' energy: -31.554
flat angles C4'-P-C4' energy: -32.628
flat angles P-C4'-P energy: -27.935
tors. eta vs tors. theta energy: -23.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -212.883487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.883487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.883487 (E_RNA)
where:
Base-Base interactions energy: -92.715
where: short stacking energy: -57.959
Base-Backbone interact. energy: -1.776
local terms energy: -118.391986
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -28.372
flat angles C4'-P-C4' energy: -26.372
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -228.722930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.722930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.722930 (E_RNA)
where:
Base-Base interactions energy: -90.324
where: short stacking energy: -63.435
Base-Backbone interact. energy: -0.881
local terms energy: -137.518329
where:
bonds (distance) C4'-P energy: -39.743
bonds (distance) P-C4' energy: -37.567
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -171.058101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.058101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.058101 (E_RNA)
where:
Base-Base interactions energy: -62.524
where: short stacking energy: -58.193
Base-Backbone interact. energy: 0.331
local terms energy: -108.865471
where:
bonds (distance) C4'-P energy: -25.808
bonds (distance) P-C4' energy: -33.440
flat angles C4'-P-C4' energy: -31.581
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -169.621270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.621270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.621270 (E_RNA)
where:
Base-Base interactions energy: -77.943
where: short stacking energy: -45.832
Base-Backbone interact. energy: -0.147
local terms energy: -91.531431
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -25.046
flat angles P-C4'-P energy: -20.500
tors. eta vs tors. theta energy: 7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -148.913902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.913902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.913902 (E_RNA)
where:
Base-Base interactions energy: -42.850
where: short stacking energy: -30.951
Base-Backbone interact. energy: -0.573
local terms energy: -105.491160
where:
bonds (distance) C4'-P energy: -31.435
bonds (distance) P-C4' energy: -31.448
flat angles C4'-P-C4' energy: -30.054
flat angles P-C4'-P energy: -20.472
tors. eta vs tors. theta energy: 7.918
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: 21
Temperature: 0.900000
Total energy: -475.432841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.432841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.432841 (E_RNA)
where:
Base-Base interactions energy: -328.061
where: short stacking energy: -139.997
Base-Backbone interact. energy: -1.708
local terms energy: -145.663634
where:
bonds (distance) C4'-P energy: -36.542
bonds (distance) P-C4' energy: -25.633
flat angles C4'-P-C4' energy: -33.416
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -33.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -454.910791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.910791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.910791 (E_RNA)
where:
Base-Base interactions energy: -303.796
where: short stacking energy: -112.110
Base-Backbone interact. energy: -0.468
local terms energy: -150.646322
where:
bonds (distance) C4'-P energy: -32.805
bonds (distance) P-C4' energy: -35.104
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: -23.334
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: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -449.293212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.293212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.293212 (E_RNA)
where:
Base-Base interactions energy: -288.370
where: short stacking energy: -120.574
Base-Backbone interact. energy: 0.064
local terms energy: -160.987484
where:
bonds (distance) C4'-P energy: -30.680
bonds (distance) P-C4' energy: -34.130
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -25.199
tors. eta vs tors. theta energy: -37.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -404.950566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.950566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.950566 (E_RNA)
where:
Base-Base interactions energy: -261.026
where: short stacking energy: -110.888
Base-Backbone interact. energy: 1.213
local terms energy: -145.137593
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -30.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -351.874461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.874461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.874461 (E_RNA)
where:
Base-Base interactions energy: -210.264
where: short stacking energy: -83.773
Base-Backbone interact. energy: -0.416
local terms energy: -141.194140
where:
bonds (distance) C4'-P energy: -30.174
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -32.381
flat angles P-C4'-P energy: -25.356
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: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -208.125938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.125938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.125938 (E_RNA)
where:
Base-Base interactions energy: -97.910
where: short stacking energy: -63.370
Base-Backbone interact. energy: 0.349
local terms energy: -110.564901
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -28.484
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -6.385
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: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -194.513266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.513266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.513266 (E_RNA)
where:
Base-Base interactions energy: -100.495
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.267
local terms energy: -93.751588
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -30.417
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -176.553523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.553523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.553523 (E_RNA)
where:
Base-Base interactions energy: -54.228
where: short stacking energy: -52.353
Base-Backbone interact. energy: -0.293
local terms energy: -122.032697
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -34.953
flat angles C4'-P-C4' energy: -28.467
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -159.020912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.020912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.020912 (E_RNA)
where:
Base-Base interactions energy: -54.017
where: short stacking energy: -47.563
Base-Backbone interact. energy: -0.205
local terms energy: -104.798996
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -34.895
flat angles C4'-P-C4' energy: -25.464
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -1.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -152.704330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.704330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.704330 (E_RNA)
where:
Base-Base interactions energy: -55.818
where: short stacking energy: -38.453
Base-Backbone interact. energy: -0.482
local terms energy: -96.404594
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -31.432
flat angles C4'-P-C4' energy: -29.586
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: 8.576
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: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -471.957309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.957309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.957309 (E_RNA)
where:
Base-Base interactions energy: -299.907
where: short stacking energy: -140.203
Base-Backbone interact. energy: 0.763
local terms energy: -172.812887
where:
bonds (distance) C4'-P energy: -36.877
bonds (distance) P-C4' energy: -34.209
flat angles C4'-P-C4' energy: -36.627
flat angles P-C4'-P energy: -26.037
tors. eta vs tors. theta energy: -39.063
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: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -448.262236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.262236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.262236 (E_RNA)
where:
Base-Base interactions energy: -296.881
where: short stacking energy: -108.194
Base-Backbone interact. energy: -1.230
local terms energy: -150.151188
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -35.022
flat angles C4'-P-C4' energy: -38.426
flat angles P-C4'-P energy: -18.603
tors. eta vs tors. theta energy: -23.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -455.272188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.272188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.272188 (E_RNA)
where:
Base-Base interactions energy: -293.922
where: short stacking energy: -133.546
Base-Backbone interact. energy: -0.148
local terms energy: -161.201702
where:
bonds (distance) C4'-P energy: -31.547
bonds (distance) P-C4' energy: -34.664
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -24.106
tors. eta vs tors. theta energy: -39.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -422.687401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.687401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.687401 (E_RNA)
where:
Base-Base interactions energy: -260.791
where: short stacking energy: -118.605
Base-Backbone interact. energy: -1.091
local terms energy: -160.805107
where:
bonds (distance) C4'-P energy: -39.678
bonds (distance) P-C4' energy: -31.553
flat angles C4'-P-C4' energy: -37.183
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -36.116
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: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -388.914443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.914443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.914443 (E_RNA)
where:
Base-Base interactions energy: -236.456
where: short stacking energy: -103.266
Base-Backbone interact. energy: 1.078
local terms energy: -153.535723
where:
bonds (distance) C4'-P energy: -32.030
bonds (distance) P-C4' energy: -38.396
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -23.786
tors. eta vs tors. theta energy: -26.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -221.767299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.767299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.767299 (E_RNA)
where:
Base-Base interactions energy: -115.407
where: short stacking energy: -60.692
Base-Backbone interact. energy: -1.649
local terms energy: -104.710602
where:
bonds (distance) C4'-P energy: -24.719
bonds (distance) P-C4' energy: -32.521
flat angles C4'-P-C4' energy: -32.624
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -211.313783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.313783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.313783 (E_RNA)
where:
Base-Base interactions energy: -91.632
where: short stacking energy: -56.802
Base-Backbone interact. energy: -0.696
local terms energy: -118.986510
where:
bonds (distance) C4'-P energy: -25.520
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -36.156
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -171.597981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.597981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.597981 (E_RNA)
where:
Base-Base interactions energy: -61.857
where: short stacking energy: -44.302
Base-Backbone interact. energy: -1.054
local terms energy: -108.686763
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -37.581
flat angles C4'-P-C4' energy: -28.758
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -163.154080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.154080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.154080 (E_RNA)
where:
Base-Base interactions energy: -47.661
where: short stacking energy: -45.942
Base-Backbone interact. energy: 0.145
local terms energy: -115.637496
where:
bonds (distance) C4'-P energy: -39.754
bonds (distance) P-C4' energy: -31.794
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -149.218044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.218044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.218044 (E_RNA)
where:
Base-Base interactions energy: -49.263
where: short stacking energy: -35.917
Base-Backbone interact. energy: -0.535
local terms energy: -99.419380
where:
bonds (distance) C4'-P energy: -28.124
bonds (distance) P-C4' energy: -32.708
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -23.446
tors. eta vs tors. theta energy: 2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -480.373145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.373145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.373145 (E_RNA)
where:
Base-Base interactions energy: -305.245
where: short stacking energy: -140.046
Base-Backbone interact. energy: -0.135
local terms energy: -174.993177
where:
bonds (distance) C4'-P energy: -31.660
bonds (distance) P-C4' energy: -39.818
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -41.739
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: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -493.447020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.447020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.447020 (E_RNA)
where:
Base-Base interactions energy: -318.410
where: short stacking energy: -144.762
Base-Backbone interact. energy: 0.779
local terms energy: -175.815970
where:
bonds (distance) C4'-P energy: -34.323
bonds (distance) P-C4' energy: -34.414
flat angles C4'-P-C4' energy: -39.168
flat angles P-C4'-P energy: -28.470
tors. eta vs tors. theta energy: -39.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -432.894777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.894777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.894777 (E_RNA)
where:
Base-Base interactions energy: -292.920
where: short stacking energy: -122.019
Base-Backbone interact. energy: -0.420
local terms energy: -139.554251
where:
bonds (distance) C4'-P energy: -36.807
bonds (distance) P-C4' energy: -28.789
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -27.913
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: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -413.077049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.077049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.077049 (E_RNA)
where:
Base-Base interactions energy: -255.885
where: short stacking energy: -120.465
Base-Backbone interact. energy: -0.309
local terms energy: -156.882342
where:
bonds (distance) C4'-P energy: -32.325
bonds (distance) P-C4' energy: -35.666
flat angles C4'-P-C4' energy: -29.947
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -34.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -325.894370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.894370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.894370 (E_RNA)
where:
Base-Base interactions energy: -177.600
where: short stacking energy: -80.432
Base-Backbone interact. energy: -0.606
local terms energy: -147.688466
where:
bonds (distance) C4'-P energy: -31.032
bonds (distance) P-C4' energy: -36.116
flat angles C4'-P-C4' energy: -34.100
flat angles P-C4'-P energy: -28.011
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -235.361900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.361900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.361900 (E_RNA)
where:
Base-Base interactions energy: -123.559
where: short stacking energy: -55.678
Base-Backbone interact. energy: 1.985
local terms energy: -113.787748
where:
bonds (distance) C4'-P energy: -32.372
bonds (distance) P-C4' energy: -32.231
flat angles C4'-P-C4' energy: -27.019
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -173.278675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.278675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.278675 (E_RNA)
where:
Base-Base interactions energy: -55.001
where: short stacking energy: -41.604
Base-Backbone interact. energy: -1.239
local terms energy: -117.039341
where:
bonds (distance) C4'-P energy: -35.542
bonds (distance) P-C4' energy: -29.083
flat angles C4'-P-C4' energy: -27.709
flat angles P-C4'-P energy: -24.935
tors. eta vs tors. theta energy: 0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -157.495917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.495917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.495917 (E_RNA)
where:
Base-Base interactions energy: -41.693
where: short stacking energy: -41.494
Base-Backbone interact. energy: -0.897
local terms energy: -114.905995
where:
bonds (distance) C4'-P energy: -36.085
bonds (distance) P-C4' energy: -32.849
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -22.282
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -162.258550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.258550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.258550 (E_RNA)
where:
Base-Base interactions energy: -53.711
where: short stacking energy: -37.903
Base-Backbone interact. energy: -0.926
local terms energy: -107.621597
where:
bonds (distance) C4'-P energy: -24.898
bonds (distance) P-C4' energy: -37.412
flat angles C4'-P-C4' energy: -31.269
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -155.448714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.448714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.448714 (E_RNA)
where:
Base-Base interactions energy: -51.490
where: short stacking energy: -35.968
Base-Backbone interact. energy: -0.637
local terms energy: -103.321432
where:
bonds (distance) C4'-P energy: -32.612
bonds (distance) P-C4' energy: -37.521
flat angles C4'-P-C4' energy: -29.779
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: 5.691
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: 24
Temperature: 0.900000
Total energy: -484.536955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.536955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.536955 (E_RNA)
where:
Base-Base interactions energy: -301.796
where: short stacking energy: -132.215
Base-Backbone interact. energy: -0.395
local terms energy: -182.345808
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -32.422
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -27.679
tors. eta vs tors. theta energy: -37.515
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: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -494.171024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.171024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.171024 (E_RNA)
where:
Base-Base interactions energy: -338.166
where: short stacking energy: -144.292
Base-Backbone interact. energy: -0.179
local terms energy: -155.826421
where:
bonds (distance) C4'-P energy: -32.605
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -30.772
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: -42.027
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: 3, replica: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -434.281846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.281846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.281846 (E_RNA)
where:
Base-Base interactions energy: -273.476
where: short stacking energy: -115.994
Base-Backbone interact. energy: -1.058
local terms energy: -159.747956
where:
bonds (distance) C4'-P energy: -28.926
bonds (distance) P-C4' energy: -33.703
flat angles C4'-P-C4' energy: -36.010
flat angles P-C4'-P energy: -24.637
tors. eta vs tors. theta energy: -36.472
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: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -431.211296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.211296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.211296 (E_RNA)
where:
Base-Base interactions energy: -288.010
where: short stacking energy: -119.313
Base-Backbone interact. energy: -0.289
local terms energy: -142.912112
where:
bonds (distance) C4'-P energy: -32.834
bonds (distance) P-C4' energy: -34.525
flat angles C4'-P-C4' energy: -30.089
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -30.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -314.739615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.739615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.739615 (E_RNA)
where:
Base-Base interactions energy: -177.542
where: short stacking energy: -83.580
Base-Backbone interact. energy: 0.373
local terms energy: -137.570781
where:
bonds (distance) C4'-P energy: -29.769
bonds (distance) P-C4' energy: -37.317
flat angles C4'-P-C4' energy: -26.449
flat angles P-C4'-P energy: -26.079
tors. eta vs tors. theta energy: -17.956
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: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -282.029327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.029327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.029327 (E_RNA)
where:
Base-Base interactions energy: -159.981
where: short stacking energy: -75.588
Base-Backbone interact. energy: -1.465
local terms energy: -120.583506
where:
bonds (distance) C4'-P energy: -29.064
bonds (distance) P-C4' energy: -33.649
flat angles C4'-P-C4' energy: -32.612
flat angles P-C4'-P energy: -21.766
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: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -181.310848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.310848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.310848 (E_RNA)
where:
Base-Base interactions energy: -67.890
where: short stacking energy: -57.780
Base-Backbone interact. energy: -0.506
local terms energy: -112.914788
where:
bonds (distance) C4'-P energy: -28.703
bonds (distance) P-C4' energy: -34.447
flat angles C4'-P-C4' energy: -31.789
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -170.735602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.735602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.735602 (E_RNA)
where:
Base-Base interactions energy: -54.853
where: short stacking energy: -40.976
Base-Backbone interact. energy: -0.241
local terms energy: -115.641929
where:
bonds (distance) C4'-P energy: -29.731
bonds (distance) P-C4' energy: -33.843
flat angles C4'-P-C4' energy: -33.935
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -159.332667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.332667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.332667 (E_RNA)
where:
Base-Base interactions energy: -53.280
where: short stacking energy: -40.873
Base-Backbone interact. energy: -0.287
local terms energy: -105.765737
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -33.668
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -21.785
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: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -146.233623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.233623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.233623 (E_RNA)
where:
Base-Base interactions energy: -39.797
where: short stacking energy: -32.552
Base-Backbone interact. energy: 3.037
local terms energy: -109.473643
where:
bonds (distance) C4'-P energy: -33.129
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -28.548
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: 2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -489.275426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.275426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.275426 (E_RNA)
where:
Base-Base interactions energy: -319.338
where: short stacking energy: -147.627
Base-Backbone interact. energy: 0.067
local terms energy: -170.004281
where:
bonds (distance) C4'-P energy: -33.192
bonds (distance) P-C4' energy: -31.688
flat angles C4'-P-C4' energy: -37.448
flat angles P-C4'-P energy: -25.724
tors. eta vs tors. theta energy: -41.953
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: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -469.573354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.573354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.573354 (E_RNA)
where:
Base-Base interactions energy: -298.745
where: short stacking energy: -139.619
Base-Backbone interact. energy: -0.193
local terms energy: -170.635203
where:
bonds (distance) C4'-P energy: -29.025
bonds (distance) P-C4' energy: -38.569
flat angles C4'-P-C4' energy: -38.666
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -41.955
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: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -450.330243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.330243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.330243 (E_RNA)
where:
Base-Base interactions energy: -276.689
where: short stacking energy: -134.258
Base-Backbone interact. energy: 0.015
local terms energy: -173.656888
where:
bonds (distance) C4'-P energy: -35.787
bonds (distance) P-C4' energy: -32.266
flat angles C4'-P-C4' energy: -35.206
flat angles P-C4'-P energy: -24.637
tors. eta vs tors. theta energy: -45.760
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: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -446.395741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.395741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.395741 (E_RNA)
where:
Base-Base interactions energy: -291.078
where: short stacking energy: -119.532
Base-Backbone interact. energy: -0.260
local terms energy: -155.057173
where:
bonds (distance) C4'-P energy: -37.124
bonds (distance) P-C4' energy: -33.226
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -32.602
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: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -312.285138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.285138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.285138 (E_RNA)
where:
Base-Base interactions energy: -186.991
where: short stacking energy: -88.226
Base-Backbone interact. energy: -0.823
local terms energy: -124.471002
where:
bonds (distance) C4'-P energy: -27.070
bonds (distance) P-C4' energy: -36.461
flat angles C4'-P-C4' energy: -27.627
flat angles P-C4'-P energy: -19.831
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -275.143956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.143956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.143956 (E_RNA)
where:
Base-Base interactions energy: -142.861
where: short stacking energy: -75.988
Base-Backbone interact. energy: -0.622
local terms energy: -131.661067
where:
bonds (distance) C4'-P energy: -35.558
bonds (distance) P-C4' energy: -30.422
flat angles C4'-P-C4' energy: -36.311
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -166.656280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.656280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.656280 (E_RNA)
where:
Base-Base interactions energy: -47.160
where: short stacking energy: -42.225
Base-Backbone interact. energy: 1.077
local terms energy: -120.573816
where:
bonds (distance) C4'-P energy: -35.492
bonds (distance) P-C4' energy: -33.539
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -196.662844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.662844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.662844 (E_RNA)
where:
Base-Base interactions energy: -83.432
where: short stacking energy: -53.650
Base-Backbone interact. energy: -0.565
local terms energy: -112.665454
where:
bonds (distance) C4'-P energy: -26.463
bonds (distance) P-C4' energy: -29.809
flat angles C4'-P-C4' energy: -23.840
flat angles P-C4'-P energy: -25.318
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -175.942564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.942564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.942564 (E_RNA)
where:
Base-Base interactions energy: -61.394
where: short stacking energy: -42.628
Base-Backbone interact. energy: -0.419
local terms energy: -114.129329
where:
bonds (distance) C4'-P energy: -28.165
bonds (distance) P-C4' energy: -29.513
flat angles C4'-P-C4' energy: -32.148
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -155.468495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.468495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.468495 (E_RNA)
where:
Base-Base interactions energy: -57.890
where: short stacking energy: -32.727
Base-Backbone interact. energy: -0.483
local terms energy: -97.096230
where:
bonds (distance) C4'-P energy: -35.282
bonds (distance) P-C4' energy: -32.435
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: 8.871
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: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -481.637950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.637950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.637950 (E_RNA)
where:
Base-Base interactions energy: -304.151
where: short stacking energy: -120.770
Base-Backbone interact. energy: -1.336
local terms energy: -176.150715
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -30.234
flat angles C4'-P-C4' energy: -33.487
flat angles P-C4'-P energy: -29.656
tors. eta vs tors. theta energy: -46.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -459.427132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.427132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.427132 (E_RNA)
where:
Base-Base interactions energy: -288.242
where: short stacking energy: -132.481
Base-Backbone interact. energy: -0.214
local terms energy: -170.970268
where:
bonds (distance) C4'-P energy: -35.526
bonds (distance) P-C4' energy: -38.442
flat angles C4'-P-C4' energy: -38.770
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -40.193
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: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -469.917209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.917209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.917209 (E_RNA)
where:
Base-Base interactions energy: -309.027
where: short stacking energy: -136.468
Base-Backbone interact. energy: -0.942
local terms energy: -159.948233
where:
bonds (distance) C4'-P energy: -30.581
bonds (distance) P-C4' energy: -29.164
flat angles C4'-P-C4' energy: -37.162
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -41.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -414.545464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.545464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.545464 (E_RNA)
where:
Base-Base interactions energy: -261.190
where: short stacking energy: -114.508
Base-Backbone interact. energy: -0.328
local terms energy: -153.027497
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -38.476
flat angles C4'-P-C4' energy: -36.896
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -32.534
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: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -337.954065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.954065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.954065 (E_RNA)
where:
Base-Base interactions energy: -187.234
where: short stacking energy: -98.811
Base-Backbone interact. energy: 1.204
local terms energy: -151.923731
where:
bonds (distance) C4'-P energy: -25.270
bonds (distance) P-C4' energy: -29.783
flat angles C4'-P-C4' energy: -39.885
flat angles P-C4'-P energy: -28.970
tors. eta vs tors. theta energy: -28.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -271.025606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.025606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.025606 (E_RNA)
where:
Base-Base interactions energy: -148.463
where: short stacking energy: -68.486
Base-Backbone interact. energy: 0.340
local terms energy: -122.902629
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -31.933
flat angles C4'-P-C4' energy: -38.125
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -8.954
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: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -223.790193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.790193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.790193 (E_RNA)
where:
Base-Base interactions energy: -113.411
where: short stacking energy: -52.638
Base-Backbone interact. energy: -1.360
local terms energy: -109.019484
where:
bonds (distance) C4'-P energy: -34.738
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -31.060
flat angles P-C4'-P energy: -16.646
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: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -186.044944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.044944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.044944 (E_RNA)
where:
Base-Base interactions energy: -66.952
where: short stacking energy: -63.649
Base-Backbone interact. energy: -0.220
local terms energy: -118.872920
where:
bonds (distance) C4'-P energy: -36.057
bonds (distance) P-C4' energy: -31.691
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -9.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -162.378470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.378470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.378470 (E_RNA)
where:
Base-Base interactions energy: -52.577
where: short stacking energy: -49.464
Base-Backbone interact. energy: 3.052
local terms energy: -112.853165
where:
bonds (distance) C4'-P energy: -35.477
bonds (distance) P-C4' energy: -36.827
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: 3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -160.681660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.681660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.681660 (E_RNA)
where:
Base-Base interactions energy: -56.639
where: short stacking energy: -35.636
Base-Backbone interact. energy: -0.683
local terms energy: -103.359719
where:
bonds (distance) C4'-P energy: -29.749
bonds (distance) P-C4' energy: -31.222
flat angles C4'-P-C4' energy: -33.279
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: 7.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -503.443186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.443186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.443186 (E_RNA)
where:
Base-Base interactions energy: -311.563
where: short stacking energy: -145.644
Base-Backbone interact. energy: -0.885
local terms energy: -190.995280
where:
bonds (distance) C4'-P energy: -36.493
bonds (distance) P-C4' energy: -32.836
flat angles C4'-P-C4' energy: -43.974
flat angles P-C4'-P energy: -31.576
tors. eta vs tors. theta energy: -46.117
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: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -482.210613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.210613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.210613 (E_RNA)
where:
Base-Base interactions energy: -309.191
where: short stacking energy: -149.445
Base-Backbone interact. energy: -0.796
local terms energy: -172.224125
where:
bonds (distance) C4'-P energy: -36.190
bonds (distance) P-C4' energy: -32.406
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -29.598
tors. eta vs tors. theta energy: -39.511
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: 27
Temperature: 1.000000
Total energy: -446.168438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.168438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.168438 (E_RNA)
where:
Base-Base interactions energy: -277.992
where: short stacking energy: -127.253
Base-Backbone interact. energy: -0.187
local terms energy: -167.989345
where:
bonds (distance) C4'-P energy: -36.302
bonds (distance) P-C4' energy: -33.638
flat angles C4'-P-C4' energy: -36.011
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -40.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -408.894223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.894223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.894223 (E_RNA)
where:
Base-Base interactions energy: -260.295
where: short stacking energy: -111.960
Base-Backbone interact. energy: 0.055
local terms energy: -148.653913
where:
bonds (distance) C4'-P energy: -33.190
bonds (distance) P-C4' energy: -30.773
flat angles C4'-P-C4' energy: -34.168
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -31.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -322.597899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.597899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.597899 (E_RNA)
where:
Base-Base interactions energy: -190.731
where: short stacking energy: -119.635
Base-Backbone interact. energy: -0.641
local terms energy: -131.225436
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -33.201
flat angles C4'-P-C4' energy: -29.317
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -315.360070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.360070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.360070 (E_RNA)
where:
Base-Base interactions energy: -188.817
where: short stacking energy: -86.627
Base-Backbone interact. energy: 1.725
local terms energy: -128.268362
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -33.298
flat angles C4'-P-C4' energy: -33.595
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -214.136898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.136898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.136898 (E_RNA)
where:
Base-Base interactions energy: -102.625
where: short stacking energy: -60.421
Base-Backbone interact. energy: 1.526
local terms energy: -113.037567
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -25.646
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -7.991
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: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -216.191455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.191455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.191455 (E_RNA)
where:
Base-Base interactions energy: -106.740
where: short stacking energy: -58.400
Base-Backbone interact. energy: -1.237
local terms energy: -108.214179
where:
bonds (distance) C4'-P energy: -30.625
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -10.209
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: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -188.900311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.900311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.900311 (E_RNA)
where:
Base-Base interactions energy: -81.861
where: short stacking energy: -62.393
Base-Backbone interact. energy: -0.699
local terms energy: -106.340406
where:
bonds (distance) C4'-P energy: -29.398
bonds (distance) P-C4' energy: -31.332
flat angles C4'-P-C4' energy: -28.251
flat angles P-C4'-P energy: -14.377
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: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -153.394392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.394392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.394392 (E_RNA)
where:
Base-Base interactions energy: -60.156
where: short stacking energy: -37.389
Base-Backbone interact. energy: 1.976
local terms energy: -95.215132
where:
bonds (distance) C4'-P energy: -29.596
bonds (distance) P-C4' energy: -29.020
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: 3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -494.479727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.479727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.479727 (E_RNA)
where:
Base-Base interactions energy: -320.980
where: short stacking energy: -138.437
Base-Backbone interact. energy: -1.592
local terms energy: -171.907788
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -37.424
flat angles C4'-P-C4' energy: -35.801
flat angles P-C4'-P energy: -21.396
tors. eta vs tors. theta energy: -47.859
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: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -456.693110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.693110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.693110 (E_RNA)
where:
Base-Base interactions energy: -295.135
where: short stacking energy: -128.959
Base-Backbone interact. energy: -1.565
local terms energy: -159.993705
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -33.822
flat angles C4'-P-C4' energy: -38.828
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: -34.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -432.327526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.327526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.327526 (E_RNA)
where:
Base-Base interactions energy: -272.243
where: short stacking energy: -108.499
Base-Backbone interact. energy: -1.017
local terms energy: -159.067493
where:
bonds (distance) C4'-P energy: -35.377
bonds (distance) P-C4' energy: -33.988
flat angles C4'-P-C4' energy: -33.414
flat angles P-C4'-P energy: -26.054
tors. eta vs tors. theta energy: -30.234
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: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -418.499558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.499558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.499558 (E_RNA)
where:
Base-Base interactions energy: -256.343
where: short stacking energy: -113.559
Base-Backbone interact. energy: 1.214
local terms energy: -163.370172
where:
bonds (distance) C4'-P energy: -30.800
bonds (distance) P-C4' energy: -40.213
flat angles C4'-P-C4' energy: -36.815
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -37.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -380.632270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.632270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.632270 (E_RNA)
where:
Base-Base interactions energy: -236.591
where: short stacking energy: -92.384
Base-Backbone interact. energy: -0.890
local terms energy: -143.150992
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -36.588
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -27.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -292.918100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.918100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.918100 (E_RNA)
where:
Base-Base interactions energy: -164.566
where: short stacking energy: -78.744
Base-Backbone interact. energy: -0.981
local terms energy: -127.370674
where:
bonds (distance) C4'-P energy: -37.860
bonds (distance) P-C4' energy: -31.210
flat angles C4'-P-C4' energy: -27.125
flat angles P-C4'-P energy: -15.111
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: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -266.997923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.997923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.997923 (E_RNA)
where:
Base-Base interactions energy: -141.635
where: short stacking energy: -90.675
Base-Backbone interact. energy: 0.768
local terms energy: -126.131066
where:
bonds (distance) C4'-P energy: -28.712
bonds (distance) P-C4' energy: -29.028
flat angles C4'-P-C4' energy: -30.684
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -22.455
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: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -197.457974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.457974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.457974 (E_RNA)
where:
Base-Base interactions energy: -98.996
where: short stacking energy: -52.877
Base-Backbone interact. energy: -1.132
local terms energy: -97.330458
where:
bonds (distance) C4'-P energy: -35.093
bonds (distance) P-C4' energy: -32.340
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: 1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -167.959735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.959735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.959735 (E_RNA)
where:
Base-Base interactions energy: -54.463
where: short stacking energy: -47.603
Base-Backbone interact. energy: -1.233
local terms energy: -112.263787
where:
bonds (distance) C4'-P energy: -28.785
bonds (distance) P-C4' energy: -29.697
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -23.072
tors. eta vs tors. theta energy: -7.790
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: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -161.690731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.690731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.690731 (E_RNA)
where:
Base-Base interactions energy: -49.565
where: short stacking energy: -45.752
Base-Backbone interact. energy: -0.096
local terms energy: -112.030329
where:
bonds (distance) C4'-P energy: -28.799
bonds (distance) P-C4' energy: -38.282
flat angles C4'-P-C4' energy: -30.187
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: 0.942
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: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -506.563263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.563263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.563263 (E_RNA)
where:
Base-Base interactions energy: -332.856
where: short stacking energy: -139.300
Base-Backbone interact. energy: 1.246
local terms energy: -174.953925
where:
bonds (distance) C4'-P energy: -35.722
bonds (distance) P-C4' energy: -37.352
flat angles C4'-P-C4' energy: -36.070
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -44.001
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: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -469.110936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.110936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.110936 (E_RNA)
where:
Base-Base interactions energy: -300.406
where: short stacking energy: -144.575
Base-Backbone interact. energy: 1.666
local terms energy: -170.370826
where:
bonds (distance) C4'-P energy: -26.997
bonds (distance) P-C4' energy: -38.004
flat angles C4'-P-C4' energy: -36.223
flat angles P-C4'-P energy: -26.257
tors. eta vs tors. theta energy: -42.890
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: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -431.531205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.531205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.531205 (E_RNA)
where:
Base-Base interactions energy: -288.916
where: short stacking energy: -116.566
Base-Backbone interact. energy: -1.214
local terms energy: -141.401969
where:
bonds (distance) C4'-P energy: -33.028
bonds (distance) P-C4' energy: -30.419
flat angles C4'-P-C4' energy: -33.006
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -30.886
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: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -442.379974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.379974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.379974 (E_RNA)
where:
Base-Base interactions energy: -284.247
where: short stacking energy: -130.351
Base-Backbone interact. energy: -1.141
local terms energy: -156.991287
where:
bonds (distance) C4'-P energy: -35.705
bonds (distance) P-C4' energy: -33.857
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -41.734
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: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -313.061293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.061293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.061293 (E_RNA)
where:
Base-Base interactions energy: -183.297
where: short stacking energy: -73.542
Base-Backbone interact. energy: -1.245
local terms energy: -128.518701
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -303.102025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.102025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.102025 (E_RNA)
where:
Base-Base interactions energy: -182.992
where: short stacking energy: -88.504
Base-Backbone interact. energy: 2.059
local terms energy: -122.169932
where:
bonds (distance) C4'-P energy: -29.921
bonds (distance) P-C4' energy: -38.079
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -13.757
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: 29
Temperature: 1.200000
Total energy: -267.698616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.698616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.698616 (E_RNA)
where:
Base-Base interactions energy: -129.354
where: short stacking energy: -82.360
Base-Backbone interact. energy: -0.326
local terms energy: -138.018485
where:
bonds (distance) C4'-P energy: -32.643
bonds (distance) P-C4' energy: -29.783
flat angles C4'-P-C4' energy: -32.575
flat angles P-C4'-P energy: -22.710
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -180.247349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.247349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.247349 (E_RNA)
where:
Base-Base interactions energy: -57.913
where: short stacking energy: -52.857
Base-Backbone interact. energy: 0.060
local terms energy: -122.394808
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -26.320
flat angles C4'-P-C4' energy: -26.822
flat angles P-C4'-P energy: -27.251
tors. eta vs tors. theta energy: -11.045
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: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -171.117450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.117450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.117450 (E_RNA)
where:
Base-Base interactions energy: -59.893
where: short stacking energy: -55.003
Base-Backbone interact. energy: 0.623
local terms energy: -111.847392
where:
bonds (distance) C4'-P energy: -25.765
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -34.604
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -12.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -144.307679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.307679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.307679 (E_RNA)
where:
Base-Base interactions energy: -56.640
where: short stacking energy: -41.794
Base-Backbone interact. energy: 1.688
local terms energy: -89.356068
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -36.322
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: 5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -495.072280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.072280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.072280 (E_RNA)
where:
Base-Base interactions energy: -323.663
where: short stacking energy: -147.880
Base-Backbone interact. energy: -0.232
local terms energy: -171.177015
where:
bonds (distance) C4'-P energy: -37.894
bonds (distance) P-C4' energy: -35.026
flat angles C4'-P-C4' energy: -36.489
flat angles P-C4'-P energy: -23.789
tors. eta vs tors. theta energy: -37.978
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: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -504.970827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.970827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.970827 (E_RNA)
where:
Base-Base interactions energy: -333.896
where: short stacking energy: -154.609
Base-Backbone interact. energy: -0.154
local terms energy: -170.920358
where:
bonds (distance) C4'-P energy: -29.425
bonds (distance) P-C4' energy: -32.199
flat angles C4'-P-C4' energy: -37.377
flat angles P-C4'-P energy: -26.202
tors. eta vs tors. theta energy: -45.717
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: 30
Temperature: 1.000000
Total energy: -443.662183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.662183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.662183 (E_RNA)
where:
Base-Base interactions energy: -283.851
where: short stacking energy: -125.985
Base-Backbone interact. energy: -1.017
local terms energy: -158.794226
where:
bonds (distance) C4'-P energy: -37.635
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -34.831
flat angles P-C4'-P energy: -24.380
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: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -394.626249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.626249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.626249 (E_RNA)
where:
Base-Base interactions energy: -259.623
where: short stacking energy: -91.818
Base-Backbone interact. energy: 1.032
local terms energy: -136.034459
where:
bonds (distance) C4'-P energy: -27.926
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -32.178
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -323.984225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.984225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.984225 (E_RNA)
where:
Base-Base interactions energy: -186.235
where: short stacking energy: -96.980
Base-Backbone interact. energy: -0.200
local terms energy: -137.549035
where:
bonds (distance) C4'-P energy: -33.113
bonds (distance) P-C4' energy: -34.864
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -26.150
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: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -286.568492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.568492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.568492 (E_RNA)
where:
Base-Base interactions energy: -161.075
where: short stacking energy: -74.904
Base-Backbone interact. energy: -1.380
local terms energy: -124.113074
where:
bonds (distance) C4'-P energy: -34.257
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -35.176
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -265.285444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.285444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.285444 (E_RNA)
where:
Base-Base interactions energy: -137.844
where: short stacking energy: -73.260
Base-Backbone interact. energy: -0.929
local terms energy: -126.512752
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -30.420
flat angles C4'-P-C4' energy: -31.257
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -167.393571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.393571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.393571 (E_RNA)
where:
Base-Base interactions energy: -48.229
where: short stacking energy: -41.831
Base-Backbone interact. energy: -0.628
local terms energy: -118.536525
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -34.341
flat angles C4'-P-C4' energy: -28.529
flat angles P-C4'-P energy: -23.448
tors. eta vs tors. theta energy: -4.060
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: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -204.549788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.549788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.549788 (E_RNA)
where:
Base-Base interactions energy: -107.554
where: short stacking energy: -39.008
Base-Backbone interact. energy: -1.752
local terms energy: -95.243288
where:
bonds (distance) C4'-P energy: -28.047
bonds (distance) P-C4' energy: -31.007
flat angles C4'-P-C4' energy: -24.185
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: 3.316
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: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -152.061012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.061012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.061012 (E_RNA)
where:
Base-Base interactions energy: -54.700
where: short stacking energy: -43.190
Base-Backbone interact. energy: 0.769
local terms energy: -98.130172
where:
bonds (distance) C4'-P energy: -35.433
bonds (distance) P-C4' energy: -27.672
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: 0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -497.608252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.608252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.608252 (E_RNA)
where:
Base-Base interactions energy: -332.847
where: short stacking energy: -148.386
Base-Backbone interact. energy: -0.521
local terms energy: -164.240476
where:
bonds (distance) C4'-P energy: -38.294
bonds (distance) P-C4' energy: -31.146
flat angles C4'-P-C4' energy: -32.300
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: -44.089
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: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -493.493103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.493103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.493103 (E_RNA)
where:
Base-Base interactions energy: -313.632
where: short stacking energy: -139.400
Base-Backbone interact. energy: -0.740
local terms energy: -179.121019
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -37.712
flat angles C4'-P-C4' energy: -35.935
flat angles P-C4'-P energy: -28.514
tors. eta vs tors. theta energy: -45.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -475.575196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.575196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.575196 (E_RNA)
where:
Base-Base interactions energy: -318.403
where: short stacking energy: -150.363
Base-Backbone interact. energy: 2.988
local terms energy: -160.159947
where:
bonds (distance) C4'-P energy: -34.635
bonds (distance) P-C4' energy: -34.878
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: -37.996
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: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -342.417692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.417692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.417692 (E_RNA)
where:
Base-Base interactions energy: -193.074
where: short stacking energy: -104.679
Base-Backbone interact. energy: -0.216
local terms energy: -149.127394
where:
bonds (distance) C4'-P energy: -35.792
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -33.888
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -24.450
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: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -395.827093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.827093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.827093 (E_RNA)
where:
Base-Base interactions energy: -249.074
where: short stacking energy: -116.357
Base-Backbone interact. energy: -0.389
local terms energy: -146.364280
where:
bonds (distance) C4'-P energy: -26.008
bonds (distance) P-C4' energy: -36.017
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -22.915
tors. eta vs tors. theta energy: -28.627
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: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -270.802886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.802886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.802886 (E_RNA)
where:
Base-Base interactions energy: -151.915
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.516
local terms energy: -118.372083
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -29.588
flat angles C4'-P-C4' energy: -39.505
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -296.038939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.038939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.038939 (E_RNA)
where:
Base-Base interactions energy: -162.314
where: short stacking energy: -72.614
Base-Backbone interact. energy: -1.274
local terms energy: -132.451489
where:
bonds (distance) C4'-P energy: -34.211
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -249.886904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.886904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.886904 (E_RNA)
where:
Base-Base interactions energy: -136.212
where: short stacking energy: -59.606
Base-Backbone interact. energy: -0.607
local terms energy: -113.067340
where:
bonds (distance) C4'-P energy: -27.651
bonds (distance) P-C4' energy: -29.721
flat angles C4'-P-C4' energy: -29.605
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -155.692090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.692090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.692090 (E_RNA)
where:
Base-Base interactions energy: -53.474
where: short stacking energy: -33.528
Base-Backbone interact. energy: 0.169
local terms energy: -102.386682
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -39.117
flat angles C4'-P-C4' energy: -29.537
flat angles P-C4'-P energy: -13.017
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: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -187.612374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.612374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.612374 (E_RNA)
where:
Base-Base interactions energy: -73.853
where: short stacking energy: -46.477
Base-Backbone interact. energy: -0.660
local terms energy: -113.098409
where:
bonds (distance) C4'-P energy: -27.242
bonds (distance) P-C4' energy: -32.396
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -481.672124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.672124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.672124 (E_RNA)
where:
Base-Base interactions energy: -327.476
where: short stacking energy: -131.047
Base-Backbone interact. energy: -0.359
local terms energy: -153.836431
where:
bonds (distance) C4'-P energy: -30.844
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -33.865
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: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -478.437601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.437601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.437601 (E_RNA)
where:
Base-Base interactions energy: -307.119
where: short stacking energy: -137.755
Base-Backbone interact. energy: -0.639
local terms energy: -170.679663
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -36.268
flat angles C4'-P-C4' energy: -39.179
flat angles P-C4'-P energy: -23.102
tors. eta vs tors. theta energy: -45.165
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: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -455.009117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.009117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.009117 (E_RNA)
where:
Base-Base interactions energy: -295.335
where: short stacking energy: -120.312
Base-Backbone interact. energy: 0.332
local terms energy: -160.005985
where:
bonds (distance) C4'-P energy: -33.106
bonds (distance) P-C4' energy: -35.138
flat angles C4'-P-C4' energy: -36.954
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -35.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -339.451210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.451210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.451210 (E_RNA)
where:
Base-Base interactions energy: -200.087
where: short stacking energy: -107.972
Base-Backbone interact. energy: 0.707
local terms energy: -140.071177
where:
bonds (distance) C4'-P energy: -33.878
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -30.123
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -408.470522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.470522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.470522 (E_RNA)
where:
Base-Base interactions energy: -268.356
where: short stacking energy: -103.455
Base-Backbone interact. energy: -0.953
local terms energy: -139.161930
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -34.409
flat angles P-C4'-P energy: -21.403
tors. eta vs tors. theta energy: -23.295
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: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -273.656320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.656320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.656320 (E_RNA)
where:
Base-Base interactions energy: -141.380
where: short stacking energy: -81.050
Base-Backbone interact. energy: -0.690
local terms energy: -131.586318
where:
bonds (distance) C4'-P energy: -30.145
bonds (distance) P-C4' energy: -34.669
flat angles C4'-P-C4' energy: -29.896
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -282.039269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.039269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.039269 (E_RNA)
where:
Base-Base interactions energy: -167.612
where: short stacking energy: -64.333
Base-Backbone interact. energy: -1.385
local terms energy: -113.042437
where:
bonds (distance) C4'-P energy: -28.918
bonds (distance) P-C4' energy: -33.064
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -241.946121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.946121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.946121 (E_RNA)
where:
Base-Base interactions energy: -128.262
where: short stacking energy: -67.347
Base-Backbone interact. energy: -0.299
local terms energy: -113.385556
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -9.703
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: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -159.480339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.480339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.480339 (E_RNA)
where:
Base-Base interactions energy: -47.827
where: short stacking energy: -48.764
Base-Backbone interact. energy: -0.200
local terms energy: -111.453456
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -30.427
flat angles C4'-P-C4' energy: -32.409
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -150.987771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.987771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.987771 (E_RNA)
where:
Base-Base interactions energy: -58.185
where: short stacking energy: -27.762
Base-Backbone interact. energy: 1.367
local terms energy: -94.170074
where:
bonds (distance) C4'-P energy: -29.449
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -30.056
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: 12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -485.415924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.415924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.415924 (E_RNA)
where:
Base-Base interactions energy: -311.674
where: short stacking energy: -139.868
Base-Backbone interact. energy: 0.021
local terms energy: -173.762983
where:
bonds (distance) C4'-P energy: -37.691
bonds (distance) P-C4' energy: -39.126
flat angles C4'-P-C4' energy: -38.139
flat angles P-C4'-P energy: -25.016
tors. eta vs tors. theta energy: -33.791
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: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -494.703669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.703669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.703669 (E_RNA)
where:
Base-Base interactions energy: -316.946
where: short stacking energy: -146.276
Base-Backbone interact. energy: -0.113
local terms energy: -177.645187
where:
bonds (distance) C4'-P energy: -40.407
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -31.262
flat angles P-C4'-P energy: -29.565
tors. eta vs tors. theta energy: -45.664
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: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -446.839578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.839578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.839578 (E_RNA)
where:
Base-Base interactions energy: -292.410
where: short stacking energy: -116.723
Base-Backbone interact. energy: -0.052
local terms energy: -154.377735
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -38.374
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -36.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -415.049145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.049145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.049145 (E_RNA)
where:
Base-Base interactions energy: -262.126
where: short stacking energy: -108.974
Base-Backbone interact. energy: 0.855
local terms energy: -153.778159
where:
bonds (distance) C4'-P energy: -34.572
bonds (distance) P-C4' energy: -34.128
flat angles C4'-P-C4' energy: -34.334
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -27.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -323.167359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.167359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.167359 (E_RNA)
where:
Base-Base interactions energy: -181.377
where: short stacking energy: -93.667
Base-Backbone interact. energy: 1.952
local terms energy: -143.742760
where:
bonds (distance) C4'-P energy: -37.429
bonds (distance) P-C4' energy: -33.265
flat angles C4'-P-C4' energy: -35.820
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -17.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -268.589402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.589402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.589402 (E_RNA)
where:
Base-Base interactions energy: -139.888
where: short stacking energy: -77.795
Base-Backbone interact. energy: -2.067
local terms energy: -126.634259
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -36.095
flat angles C4'-P-C4' energy: -26.800
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -18.965
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: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -261.222742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.222742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.222742 (E_RNA)
where:
Base-Base interactions energy: -126.828
where: short stacking energy: -64.532
Base-Backbone interact. energy: -0.574
local terms energy: -133.820466
where:
bonds (distance) C4'-P energy: -34.719
bonds (distance) P-C4' energy: -36.511
flat angles C4'-P-C4' energy: -29.339
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: -15.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -223.790621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.790621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.790621 (E_RNA)
where:
Base-Base interactions energy: -115.556
where: short stacking energy: -42.985
Base-Backbone interact. energy: 0.682
local terms energy: -108.917063
where:
bonds (distance) C4'-P energy: -31.122
bonds (distance) P-C4' energy: -31.187
flat angles C4'-P-C4' energy: -29.255
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: 1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -167.184290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.184290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.184290 (E_RNA)
where:
Base-Base interactions energy: -57.532
where: short stacking energy: -47.542
Base-Backbone interact. energy: -0.514
local terms energy: -109.138041
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -33.449
flat angles P-C4'-P energy: -21.436
tors. eta vs tors. theta energy: -6.568
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: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -142.518064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.518064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.518064 (E_RNA)
where:
Base-Base interactions energy: -48.147
where: short stacking energy: -40.703
Base-Backbone interact. energy: 0.532
local terms energy: -94.902758
where:
bonds (distance) C4'-P energy: -31.905
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -26.676
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: 2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -524.046526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.046526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.046526 (E_RNA)
where:
Base-Base interactions energy: -347.044
where: short stacking energy: -161.393
Base-Backbone interact. energy: -0.128
local terms energy: -176.874159
where:
bonds (distance) C4'-P energy: -35.374
bonds (distance) P-C4' energy: -35.122
flat angles C4'-P-C4' energy: -37.814
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: -48.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -461.648660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.648660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.648660 (E_RNA)
where:
Base-Base interactions energy: -310.620
where: short stacking energy: -117.186
Base-Backbone interact. energy: 0.682
local terms energy: -151.710994
where:
bonds (distance) C4'-P energy: -29.395
bonds (distance) P-C4' energy: -36.822
flat angles C4'-P-C4' energy: -31.486
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -34.087
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: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -426.569176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.569176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.569176 (E_RNA)
where:
Base-Base interactions energy: -268.194
where: short stacking energy: -128.177
Base-Backbone interact. energy: -0.341
local terms energy: -158.033344
where:
bonds (distance) C4'-P energy: -34.520
bonds (distance) P-C4' energy: -35.180
flat angles C4'-P-C4' energy: -29.487
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -37.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -435.927012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.927012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.927012 (E_RNA)
where:
Base-Base interactions energy: -278.700
where: short stacking energy: -115.077
Base-Backbone interact. energy: -0.432
local terms energy: -156.795302
where:
bonds (distance) C4'-P energy: -24.734
bonds (distance) P-C4' energy: -34.244
flat angles C4'-P-C4' energy: -40.775
flat angles P-C4'-P energy: -24.350
tors. eta vs tors. theta energy: -32.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -338.267919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.267919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.267919 (E_RNA)
where:
Base-Base interactions energy: -204.636
where: short stacking energy: -94.340
Base-Backbone interact. energy: -0.185
local terms energy: -133.447374
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -33.098
flat angles C4'-P-C4' energy: -36.898
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -21.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -255.640174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.640174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.640174 (E_RNA)
where:
Base-Base interactions energy: -149.985
where: short stacking energy: -63.024
Base-Backbone interact. energy: 1.488
local terms energy: -107.144003
where:
bonds (distance) C4'-P energy: -32.816
bonds (distance) P-C4' energy: -30.650
flat angles C4'-P-C4' energy: -24.606
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -10.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -249.967687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.967687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.967687 (E_RNA)
where:
Base-Base interactions energy: -124.964
where: short stacking energy: -69.214
Base-Backbone interact. energy: -0.241
local terms energy: -124.762657
where:
bonds (distance) C4'-P energy: -34.856
bonds (distance) P-C4' energy: -29.234
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -17.385
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: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -179.155728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.155728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.155728 (E_RNA)
where:
Base-Base interactions energy: -64.693
where: short stacking energy: -47.579
Base-Backbone interact. energy: 1.749
local terms energy: -116.211804
where:
bonds (distance) C4'-P energy: -32.939
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -28.078
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: 1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -164.991332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.991332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.991332 (E_RNA)
where:
Base-Base interactions energy: -65.248
where: short stacking energy: -39.060
Base-Backbone interact. energy: -0.860
local terms energy: -98.883440
where:
bonds (distance) C4'-P energy: -32.335
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: 9.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -139.844644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.844644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.844644 (E_RNA)
where:
Base-Base interactions energy: -55.831
where: short stacking energy: -39.330
Base-Backbone interact. energy: -0.358
local terms energy: -83.655521
where:
bonds (distance) C4'-P energy: -22.916
bonds (distance) P-C4' energy: -30.087
flat angles C4'-P-C4' energy: -30.450
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: 7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -528.325735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.325735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.325735 (E_RNA)
where:
Base-Base interactions energy: -353.566
where: short stacking energy: -152.058
Base-Backbone interact. energy: -0.631
local terms energy: -174.129124
where:
bonds (distance) C4'-P energy: -33.369
bonds (distance) P-C4' energy: -28.428
flat angles C4'-P-C4' energy: -39.263
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -47.215
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: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -494.892132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.892132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.892132 (E_RNA)
where:
Base-Base interactions energy: -326.897
where: short stacking energy: -133.891
Base-Backbone interact. energy: -0.609
local terms energy: -167.385991
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -37.912
flat angles C4'-P-C4' energy: -32.468
flat angles P-C4'-P energy: -30.669
tors. eta vs tors. theta energy: -36.009
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: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -423.124146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.124146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.124146 (E_RNA)
where:
Base-Base interactions energy: -264.843
where: short stacking energy: -118.141
Base-Backbone interact. energy: 4.962
local terms energy: -163.242726
where:
bonds (distance) C4'-P energy: -36.359
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -35.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -418.254807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.254807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.254807 (E_RNA)
where:
Base-Base interactions energy: -263.873
where: short stacking energy: -118.289
Base-Backbone interact. energy: -1.288
local terms energy: -153.094433
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -35.681
flat angles C4'-P-C4' energy: -37.649
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -28.122
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: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -311.553612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.553612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.553612 (E_RNA)
where:
Base-Base interactions energy: -174.960
where: short stacking energy: -80.549
Base-Backbone interact. energy: -2.335
local terms energy: -134.259321
where:
bonds (distance) C4'-P energy: -30.104
bonds (distance) P-C4' energy: -28.538
flat angles C4'-P-C4' energy: -30.095
flat angles P-C4'-P energy: -21.514
tors. eta vs tors. theta energy: -24.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -298.567183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.567183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.567183 (E_RNA)
where:
Base-Base interactions energy: -160.138
where: short stacking energy: -82.805
Base-Backbone interact. energy: -0.460
local terms energy: -137.969072
where:
bonds (distance) C4'-P energy: -34.995
bonds (distance) P-C4' energy: -39.237
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -182.323179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.323179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.323179 (E_RNA)
where:
Base-Base interactions energy: -80.056
where: short stacking energy: -66.101
Base-Backbone interact. energy: -0.532
local terms energy: -101.735815
where:
bonds (distance) C4'-P energy: -32.944
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -188.076162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.076162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.076162 (E_RNA)
where:
Base-Base interactions energy: -91.833
where: short stacking energy: -39.993
Base-Backbone interact. energy: -0.646
local terms energy: -95.596640
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -33.426
flat angles C4'-P-C4' energy: -28.788
flat angles P-C4'-P energy: -9.994
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: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -161.717418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.717418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.717418 (E_RNA)
where:
Base-Base interactions energy: -72.109
where: short stacking energy: -43.861
Base-Backbone interact. energy: 0.010
local terms energy: -89.618487
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -31.360
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -1.406
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: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -150.358858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.358858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.358858 (E_RNA)
where:
Base-Base interactions energy: -38.774
where: short stacking energy: -35.254
Base-Backbone interact. energy: 5.868
local terms energy: -117.452715
where:
bonds (distance) C4'-P energy: -33.555
bonds (distance) P-C4' energy: -34.662
flat angles C4'-P-C4' energy: -31.387
flat angles P-C4'-P energy: -21.937
tors. eta vs tors. theta energy: 4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -511.889582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.889582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.889582 (E_RNA)
where:
Base-Base interactions energy: -330.113
where: short stacking energy: -141.303
Base-Backbone interact. energy: 1.368
local terms energy: -183.144806
where:
bonds (distance) C4'-P energy: -31.536
bonds (distance) P-C4' energy: -38.671
flat angles C4'-P-C4' energy: -41.536
flat angles P-C4'-P energy: -30.652
tors. eta vs tors. theta energy: -40.749
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: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -487.468718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.468718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.468718 (E_RNA)
where:
Base-Base interactions energy: -333.301
where: short stacking energy: -134.678
Base-Backbone interact. energy: -0.892
local terms energy: -153.275915
where:
bonds (distance) C4'-P energy: -31.027
bonds (distance) P-C4' energy: -36.559
flat angles C4'-P-C4' energy: -37.314
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -31.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -423.416686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.416686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.416686 (E_RNA)
where:
Base-Base interactions energy: -268.842
where: short stacking energy: -132.307
Base-Backbone interact. energy: 0.107
local terms energy: -154.681871
where:
bonds (distance) C4'-P energy: -30.195
bonds (distance) P-C4' energy: -32.473
flat angles C4'-P-C4' energy: -37.559
flat angles P-C4'-P energy: -18.915
tors. eta vs tors. theta energy: -35.539
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: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -423.553046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.553046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.553046 (E_RNA)
where:
Base-Base interactions energy: -272.601
where: short stacking energy: -120.973
Base-Backbone interact. energy: -0.494
local terms energy: -150.457435
where:
bonds (distance) C4'-P energy: -27.865
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -31.715
flat angles P-C4'-P energy: -20.493
tors. eta vs tors. theta energy: -35.338
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: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -295.752166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.752166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.752166 (E_RNA)
where:
Base-Base interactions energy: -162.531
where: short stacking energy: -90.502
Base-Backbone interact. energy: 1.705
local terms energy: -134.926624
where:
bonds (distance) C4'-P energy: -36.148
bonds (distance) P-C4' energy: -31.438
flat angles C4'-P-C4' energy: -28.427
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -240.348242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.348242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.348242 (E_RNA)
where:
Base-Base interactions energy: -112.830
where: short stacking energy: -70.973
Base-Backbone interact. energy: -1.123
local terms energy: -126.394672
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -37.002
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -187.554973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.554973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.554973 (E_RNA)
where:
Base-Base interactions energy: -77.482
where: short stacking energy: -44.338
Base-Backbone interact. energy: -0.388
local terms energy: -109.684961
where:
bonds (distance) C4'-P energy: -29.945
bonds (distance) P-C4' energy: -27.708
flat angles C4'-P-C4' energy: -30.739
flat angles P-C4'-P energy: -19.873
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: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -170.484943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.484943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.484943 (E_RNA)
where:
Base-Base interactions energy: -75.727
where: short stacking energy: -50.685
Base-Backbone interact. energy: 1.175
local terms energy: -95.933068
where:
bonds (distance) C4'-P energy: -27.122
bonds (distance) P-C4' energy: -30.069
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -1.289
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: 36
Temperature: 1.300000
Total energy: -165.551900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.551900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.551900 (E_RNA)
where:
Base-Base interactions energy: -69.578
where: short stacking energy: -39.037
Base-Backbone interact. energy: -0.079
local terms energy: -95.894422
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -32.670
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -5.237
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: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -146.569250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.569250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.569250 (E_RNA)
where:
Base-Base interactions energy: -27.242
where: short stacking energy: -23.303
Base-Backbone interact. energy: -0.258
local terms energy: -119.069235
where:
bonds (distance) C4'-P energy: -33.226
bonds (distance) P-C4' energy: -30.642
flat angles C4'-P-C4' energy: -30.880
flat angles P-C4'-P energy: -27.335
tors. eta vs tors. theta energy: 3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -513.715167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.715167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.715167 (E_RNA)
where:
Base-Base interactions energy: -326.961
where: short stacking energy: -146.962
Base-Backbone interact. energy: -1.553
local terms energy: -185.200585
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -38.988
flat angles C4'-P-C4' energy: -38.152
flat angles P-C4'-P energy: -26.644
tors. eta vs tors. theta energy: -47.927
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: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -477.032710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.032710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.032710 (E_RNA)
where:
Base-Base interactions energy: -318.894
where: short stacking energy: -128.502
Base-Backbone interact. energy: -0.127
local terms energy: -158.012425
where:
bonds (distance) C4'-P energy: -28.380
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -33.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -417.152858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.152858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.152858 (E_RNA)
where:
Base-Base interactions energy: -266.803
where: short stacking energy: -109.009
Base-Backbone interact. energy: -0.395
local terms energy: -149.955321
where:
bonds (distance) C4'-P energy: -33.280
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -22.845
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: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -419.474817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.474817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.474817 (E_RNA)
where:
Base-Base interactions energy: -266.868
where: short stacking energy: -116.864
Base-Backbone interact. energy: -1.278
local terms energy: -151.329186
where:
bonds (distance) C4'-P energy: -35.953
bonds (distance) P-C4' energy: -41.552
flat angles C4'-P-C4' energy: -25.791
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -35.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -293.558367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.558367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.558367 (E_RNA)
where:
Base-Base interactions energy: -169.131
where: short stacking energy: -84.261
Base-Backbone interact. energy: 2.314
local terms energy: -126.740882
where:
bonds (distance) C4'-P energy: -28.251
bonds (distance) P-C4' energy: -35.862
flat angles C4'-P-C4' energy: -32.525
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -217.655090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.655090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.655090 (E_RNA)
where:
Base-Base interactions energy: -93.764
where: short stacking energy: -54.636
Base-Backbone interact. energy: 0.537
local terms energy: -124.427140
where:
bonds (distance) C4'-P energy: -31.954
bonds (distance) P-C4' energy: -30.390
flat angles C4'-P-C4' energy: -37.266
flat angles P-C4'-P energy: -20.668
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -203.180174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.180174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.180174 (E_RNA)
where:
Base-Base interactions energy: -90.795
where: short stacking energy: -55.478
Base-Backbone interact. energy: -1.471
local terms energy: -110.913739
where:
bonds (distance) C4'-P energy: -29.990
bonds (distance) P-C4' energy: -30.814
flat angles C4'-P-C4' energy: -33.962
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: 1.140
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: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -179.350432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.350432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.350432 (E_RNA)
where:
Base-Base interactions energy: -72.803
where: short stacking energy: -50.760
Base-Backbone interact. energy: -0.714
local terms energy: -105.833220
where:
bonds (distance) C4'-P energy: -31.035
bonds (distance) P-C4' energy: -33.508
flat angles C4'-P-C4' energy: -24.891
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -155.339719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.339719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.339719 (E_RNA)
where:
Base-Base interactions energy: -60.550
where: short stacking energy: -51.584
Base-Backbone interact. energy: 1.399
local terms energy: -96.188709
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -33.475
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -1.218
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: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -171.790323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.790323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.790323 (E_RNA)
where:
Base-Base interactions energy: -64.709
where: short stacking energy: -50.907
Base-Backbone interact. energy: -0.514
local terms energy: -106.567694
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -32.427
flat angles C4'-P-C4' energy: -29.295
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -527.441843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.441843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.441843 (E_RNA)
where:
Base-Base interactions energy: -343.159
where: short stacking energy: -161.054
Base-Backbone interact. energy: 1.036
local terms energy: -185.318714
where:
bonds (distance) C4'-P energy: -39.065
bonds (distance) P-C4' energy: -33.914
flat angles C4'-P-C4' energy: -36.092
flat angles P-C4'-P energy: -24.920
tors. eta vs tors. theta energy: -51.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -477.834404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.834404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.834404 (E_RNA)
where:
Base-Base interactions energy: -309.776
where: short stacking energy: -130.728
Base-Backbone interact. energy: -1.395
local terms energy: -166.663073
where:
bonds (distance) C4'-P energy: -35.216
bonds (distance) P-C4' energy: -31.451
flat angles C4'-P-C4' energy: -36.405
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -42.165
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: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -435.241671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.241671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.241671 (E_RNA)
where:
Base-Base interactions energy: -271.802
where: short stacking energy: -114.439
Base-Backbone interact. energy: 0.708
local terms energy: -164.147974
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -37.058
flat angles C4'-P-C4' energy: -33.204
flat angles P-C4'-P energy: -26.229
tors. eta vs tors. theta energy: -31.019
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: 38
Temperature: 1.050000
Total energy: -438.864635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.864635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.864635 (E_RNA)
where:
Base-Base interactions energy: -279.455
where: short stacking energy: -114.173
Base-Backbone interact. energy: -0.855
local terms energy: -158.554783
where:
bonds (distance) C4'-P energy: -30.481
bonds (distance) P-C4' energy: -37.507
flat angles C4'-P-C4' energy: -37.554
flat angles P-C4'-P energy: -21.849
tors. eta vs tors. theta energy: -31.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -300.621455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.621455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.621455 (E_RNA)
where:
Base-Base interactions energy: -154.746
where: short stacking energy: -88.527
Base-Backbone interact. energy: -1.043
local terms energy: -144.832706
where:
bonds (distance) C4'-P energy: -32.395
bonds (distance) P-C4' energy: -35.082
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -20.889
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: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -214.072480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.072480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.072480 (E_RNA)
where:
Base-Base interactions energy: -90.313
where: short stacking energy: -78.387
Base-Backbone interact. energy: -0.268
local terms energy: -123.491806
where:
bonds (distance) C4'-P energy: -27.466
bonds (distance) P-C4' energy: -29.690
flat angles C4'-P-C4' energy: -31.270
flat angles P-C4'-P energy: -19.994
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -198.166737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.166737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.166737 (E_RNA)
where:
Base-Base interactions energy: -91.486
where: short stacking energy: -40.148
Base-Backbone interact. energy: 0.007
local terms energy: -106.688191
where:
bonds (distance) C4'-P energy: -36.146
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -0.622
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: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -172.492348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.492348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.492348 (E_RNA)
where:
Base-Base interactions energy: -67.536
where: short stacking energy: -63.431
Base-Backbone interact. energy: -0.554
local terms energy: -104.402603
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -30.323
flat angles C4'-P-C4' energy: -30.183
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -163.379652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.379652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.379652 (E_RNA)
where:
Base-Base interactions energy: -67.004
where: short stacking energy: -31.821
Base-Backbone interact. energy: -1.505
local terms energy: -94.870406
where:
bonds (distance) C4'-P energy: -30.512
bonds (distance) P-C4' energy: -32.869
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: 8.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -144.727536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.727536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.727536 (E_RNA)
where:
Base-Base interactions energy: -39.308
where: short stacking energy: -36.986
Base-Backbone interact. energy: 2.540
local terms energy: -107.959925
where:
bonds (distance) C4'-P energy: -23.063
bonds (distance) P-C4' energy: -33.073
flat angles C4'-P-C4' energy: -34.959
flat angles P-C4'-P energy: -19.360
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: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -511.657187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.657187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.657187 (E_RNA)
where:
Base-Base interactions energy: -340.836
where: short stacking energy: -138.638
Base-Backbone interact. energy: -0.741
local terms energy: -170.080684
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -34.732
flat angles C4'-P-C4' energy: -40.660
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -45.205
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: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -483.029081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.029081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.029081 (E_RNA)
where:
Base-Base interactions energy: -314.661
where: short stacking energy: -138.694
Base-Backbone interact. energy: -0.516
local terms energy: -167.852534
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -32.832
flat angles C4'-P-C4' energy: -34.854
flat angles P-C4'-P energy: -22.083
tors. eta vs tors. theta energy: -44.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -441.485421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.485421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.485421 (E_RNA)
where:
Base-Base interactions energy: -286.202
where: short stacking energy: -138.981
Base-Backbone interact. energy: -0.271
local terms energy: -155.012718
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -37.453
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -37.759
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: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -401.170095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.170095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.170095 (E_RNA)
where:
Base-Base interactions energy: -261.160
where: short stacking energy: -87.665
Base-Backbone interact. energy: 0.733
local terms energy: -140.743545
where:
bonds (distance) C4'-P energy: -34.836
bonds (distance) P-C4' energy: -30.993
flat angles C4'-P-C4' energy: -31.393
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -24.529
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: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -298.037773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.037773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.037773 (E_RNA)
where:
Base-Base interactions energy: -157.447
where: short stacking energy: -84.615
Base-Backbone interact. energy: -0.466
local terms energy: -140.125051
where:
bonds (distance) C4'-P energy: -35.233
bonds (distance) P-C4' energy: -33.269
flat angles C4'-P-C4' energy: -37.036
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -16.024
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: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -191.916617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.916617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.916617 (E_RNA)
where:
Base-Base interactions energy: -71.644
where: short stacking energy: -59.501
Base-Backbone interact. energy: -0.276
local terms energy: -119.997220
where:
bonds (distance) C4'-P energy: -31.238
bonds (distance) P-C4' energy: -32.451
flat angles C4'-P-C4' energy: -32.844
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -223.470881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.470881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.470881 (E_RNA)
where:
Base-Base interactions energy: -126.897
where: short stacking energy: -64.256
Base-Backbone interact. energy: -0.627
local terms energy: -95.946765
where:
bonds (distance) C4'-P energy: -27.187
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -34.284
flat angles P-C4'-P energy: -7.691
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: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -189.643778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.643778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.643778 (E_RNA)
where:
Base-Base interactions energy: -72.879
where: short stacking energy: -37.401
Base-Backbone interact. energy: -0.440
local terms energy: -116.325485
where:
bonds (distance) C4'-P energy: -31.114
bonds (distance) P-C4' energy: -32.480
flat angles C4'-P-C4' energy: -35.941
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: 0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -157.309486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.309486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.309486 (E_RNA)
where:
Base-Base interactions energy: -54.913
where: short stacking energy: -34.962
Base-Backbone interact. energy: -0.501
local terms energy: -101.895064
where:
bonds (distance) C4'-P energy: -35.212
bonds (distance) P-C4' energy: -37.654
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: 6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -145.685347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.685347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.685347 (E_RNA)
where:
Base-Base interactions energy: -47.210
where: short stacking energy: -42.362
Base-Backbone interact. energy: 0.932
local terms energy: -99.407102
where:
bonds (distance) C4'-P energy: -24.500
bonds (distance) P-C4' energy: -29.315
flat angles C4'-P-C4' energy: -24.606
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: 1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -509.393170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.393170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.393170 (E_RNA)
where:
Base-Base interactions energy: -336.392
where: short stacking energy: -136.947
Base-Backbone interact. energy: 0.358
local terms energy: -173.358784
where:
bonds (distance) C4'-P energy: -37.758
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -37.003
flat angles P-C4'-P energy: -23.424
tors. eta vs tors. theta energy: -39.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -502.749096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.749096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.749096 (E_RNA)
where:
Base-Base interactions energy: -330.484
where: short stacking energy: -152.026
Base-Backbone interact. energy: -0.140
local terms energy: -172.125424
where:
bonds (distance) C4'-P energy: -35.250
bonds (distance) P-C4' energy: -29.295
flat angles C4'-P-C4' energy: -39.410
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -48.013
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: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -451.115030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.115030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.115030 (E_RNA)
where:
Base-Base interactions energy: -292.595
where: short stacking energy: -116.465
Base-Backbone interact. energy: -1.865
local terms energy: -156.655142
where:
bonds (distance) C4'-P energy: -35.704
bonds (distance) P-C4' energy: -37.142
flat angles C4'-P-C4' energy: -31.230
flat angles P-C4'-P energy: -21.253
tors. eta vs tors. theta energy: -31.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -422.237020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.237020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.237020 (E_RNA)
where:
Base-Base interactions energy: -273.174
where: short stacking energy: -121.406
Base-Backbone interact. energy: -0.380
local terms energy: -148.683464
where:
bonds (distance) C4'-P energy: -35.167
bonds (distance) P-C4' energy: -32.789
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -26.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -325.941299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.941299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.941299 (E_RNA)
where:
Base-Base interactions energy: -174.046
where: short stacking energy: -96.680
Base-Backbone interact. energy: -0.157
local terms energy: -151.738713
where:
bonds (distance) C4'-P energy: -34.203
bonds (distance) P-C4' energy: -35.974
flat angles C4'-P-C4' energy: -29.126
flat angles P-C4'-P energy: -24.476
tors. eta vs tors. theta energy: -27.960
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: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -247.532606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.532606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.532606 (E_RNA)
where:
Base-Base interactions energy: -126.368
where: short stacking energy: -73.044
Base-Backbone interact. energy: -0.381
local terms energy: -120.783371
where:
bonds (distance) C4'-P energy: -34.299
bonds (distance) P-C4' energy: -30.817
flat angles C4'-P-C4' energy: -27.606
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -275.435408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.435408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.435408 (E_RNA)
where:
Base-Base interactions energy: -149.868
where: short stacking energy: -70.942
Base-Backbone interact. energy: -0.983
local terms energy: -124.584230
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -34.456
flat angles C4'-P-C4' energy: -30.829
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -197.254938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.254938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.254938 (E_RNA)
where:
Base-Base interactions energy: -90.231
where: short stacking energy: -55.573
Base-Backbone interact. energy: -0.669
local terms energy: -106.354671
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -1.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -158.783148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.783148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.783148 (E_RNA)
where:
Base-Base interactions energy: -42.410
where: short stacking energy: -43.610
Base-Backbone interact. energy: 1.313
local terms energy: -117.685872
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -35.052
flat angles C4'-P-C4' energy: -27.909
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: 1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -154.699139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.699139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.699139 (E_RNA)
where:
Base-Base interactions energy: -49.407
where: short stacking energy: -41.220
Base-Backbone interact. energy: -0.665
local terms energy: -104.626819
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -20.681
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: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -509.425425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.425425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.425425 (E_RNA)
where:
Base-Base interactions energy: -332.854
where: short stacking energy: -138.101
Base-Backbone interact. energy: -0.112
local terms energy: -176.459632
where:
bonds (distance) C4'-P energy: -34.487
bonds (distance) P-C4' energy: -41.345
flat angles C4'-P-C4' energy: -38.339
flat angles P-C4'-P energy: -26.628
tors. eta vs tors. theta energy: -35.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -436.288793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.288793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.288793 (E_RNA)
where:
Base-Base interactions energy: -277.726
where: short stacking energy: -113.625
Base-Backbone interact. energy: -1.612
local terms energy: -156.950335
where:
bonds (distance) C4'-P energy: -25.667
bonds (distance) P-C4' energy: -33.963
flat angles C4'-P-C4' energy: -39.235
flat angles P-C4'-P energy: -23.821
tors. eta vs tors. theta energy: -34.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -496.466139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.466139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.466139 (E_RNA)
where:
Base-Base interactions energy: -323.497
where: short stacking energy: -152.962
Base-Backbone interact. energy: -0.277
local terms energy: -172.691394
where:
bonds (distance) C4'-P energy: -28.773
bonds (distance) P-C4' energy: -35.317
flat angles C4'-P-C4' energy: -33.886
flat angles P-C4'-P energy: -23.335
tors. eta vs tors. theta energy: -51.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -423.007963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.007963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.007963 (E_RNA)
where:
Base-Base interactions energy: -261.411
where: short stacking energy: -104.969
Base-Backbone interact. energy: -0.303
local terms energy: -161.293670
where:
bonds (distance) C4'-P energy: -38.283
bonds (distance) P-C4' energy: -39.717
flat angles C4'-P-C4' energy: -30.749
flat angles P-C4'-P energy: -19.108
tors. eta vs tors. theta energy: -33.436
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: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -337.822903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.822903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.822903 (E_RNA)
where:
Base-Base interactions energy: -189.731
where: short stacking energy: -98.372
Base-Backbone interact. energy: -0.388
local terms energy: -147.704499
where:
bonds (distance) C4'-P energy: -30.383
bonds (distance) P-C4' energy: -43.301
flat angles C4'-P-C4' energy: -30.878
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -305.008424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.008424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.008424 (E_RNA)
where:
Base-Base interactions energy: -175.668
where: short stacking energy: -83.818
Base-Backbone interact. energy: -0.210
local terms energy: -129.130410
where:
bonds (distance) C4'-P energy: -28.799
bonds (distance) P-C4' energy: -36.606
flat angles C4'-P-C4' energy: -29.462
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -181.955129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.955129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.955129 (E_RNA)
where:
Base-Base interactions energy: -64.874
where: short stacking energy: -48.529
Base-Backbone interact. energy: -1.138
local terms energy: -115.943043
where:
bonds (distance) C4'-P energy: -34.007
bonds (distance) P-C4' energy: -30.083
flat angles C4'-P-C4' energy: -28.353
flat angles P-C4'-P energy: -22.781
tors. eta vs tors. theta energy: -0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -190.165828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.165828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.165828 (E_RNA)
where:
Base-Base interactions energy: -78.882
where: short stacking energy: -49.895
Base-Backbone interact. energy: 0.921
local terms energy: -112.204166
where:
bonds (distance) C4'-P energy: -33.245
bonds (distance) P-C4' energy: -28.946
flat angles C4'-P-C4' energy: -34.321
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -154.944304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.944304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.944304 (E_RNA)
where:
Base-Base interactions energy: -54.874
where: short stacking energy: -37.837
Base-Backbone interact. energy: -0.048
local terms energy: -100.021536
where:
bonds (distance) C4'-P energy: -31.247
bonds (distance) P-C4' energy: -27.755
flat angles C4'-P-C4' energy: -26.691
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: 9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -141.334770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.334770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.334770 (E_RNA)
where:
Base-Base interactions energy: -42.306
where: short stacking energy: -40.835
Base-Backbone interact. energy: -0.479
local terms energy: -98.550517
where:
bonds (distance) C4'-P energy: -34.434
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: 2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -496.040247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.040247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.040247 (E_RNA)
where:
Base-Base interactions energy: -332.309
where: short stacking energy: -145.747
Base-Backbone interact. energy: -0.354
local terms energy: -163.376905
where:
bonds (distance) C4'-P energy: -32.530
bonds (distance) P-C4' energy: -33.357
flat angles C4'-P-C4' energy: -35.522
flat angles P-C4'-P energy: -24.152
tors. eta vs tors. theta energy: -37.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -410.216785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.216785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.216785 (E_RNA)
where:
Base-Base interactions energy: -262.306
where: short stacking energy: -105.369
Base-Backbone interact. energy: -0.687
local terms energy: -147.223647
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -38.110
flat angles C4'-P-C4' energy: -34.819
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -25.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -505.525337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.525337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.525337 (E_RNA)
where:
Base-Base interactions energy: -316.392
where: short stacking energy: -150.036
Base-Backbone interact. energy: -0.116
local terms energy: -189.018107
where:
bonds (distance) C4'-P energy: -34.774
bonds (distance) P-C4' energy: -35.645
flat angles C4'-P-C4' energy: -39.687
flat angles P-C4'-P energy: -26.934
tors. eta vs tors. theta energy: -51.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -443.452509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.452509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.452509 (E_RNA)
where:
Base-Base interactions energy: -290.407
where: short stacking energy: -122.970
Base-Backbone interact. energy: -0.325
local terms energy: -152.720430
where:
bonds (distance) C4'-P energy: -28.702
bonds (distance) P-C4' energy: -30.858
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -35.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -338.461032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.461032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.461032 (E_RNA)
where:
Base-Base interactions energy: -199.462
where: short stacking energy: -85.350
Base-Backbone interact. energy: 0.165
local terms energy: -139.163504
where:
bonds (distance) C4'-P energy: -35.950
bonds (distance) P-C4' energy: -34.471
flat angles C4'-P-C4' energy: -28.069
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -22.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -305.926332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.926332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.926332 (E_RNA)
where:
Base-Base interactions energy: -158.151
where: short stacking energy: -76.861
Base-Backbone interact. energy: -0.591
local terms energy: -147.184847
where:
bonds (distance) C4'-P energy: -37.833
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -31.779
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -22.532
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: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -192.372689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.372689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.372689 (E_RNA)
where:
Base-Base interactions energy: -75.480
where: short stacking energy: -31.552
Base-Backbone interact. energy: -0.614
local terms energy: -116.279095
where:
bonds (distance) C4'-P energy: -29.012
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -34.153
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: -2.129
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: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -158.788047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.788047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.788047 (E_RNA)
where:
Base-Base interactions energy: -59.886
where: short stacking energy: -38.373
Base-Backbone interact. energy: -0.276
local terms energy: -98.625507
where:
bonds (distance) C4'-P energy: -24.723
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -32.673
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: 4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -163.635862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.635862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.635862 (E_RNA)
where:
Base-Base interactions energy: -56.224
where: short stacking energy: -39.342
Base-Backbone interact. energy: 1.094
local terms energy: -108.505997
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -33.716
flat angles C4'-P-C4' energy: -24.529
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: 2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -148.303097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.303097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.303097 (E_RNA)
where:
Base-Base interactions energy: -56.093
where: short stacking energy: -38.139
Base-Backbone interact. energy: -0.171
local terms energy: -92.039258
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -36.711
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -508.667187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.667187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.667187 (E_RNA)
where:
Base-Base interactions energy: -326.220
where: short stacking energy: -125.801
Base-Backbone interact. energy: -0.770
local terms energy: -181.677746
where:
bonds (distance) C4'-P energy: -40.338
bonds (distance) P-C4' energy: -37.504
flat angles C4'-P-C4' energy: -39.982
flat angles P-C4'-P energy: -28.186
tors. eta vs tors. theta energy: -35.667
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: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -509.969911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.969911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.969911 (E_RNA)
where:
Base-Base interactions energy: -331.207
where: short stacking energy: -142.146
Base-Backbone interact. energy: -0.495
local terms energy: -178.268664
where:
bonds (distance) C4'-P energy: -35.935
bonds (distance) P-C4' energy: -30.943
flat angles C4'-P-C4' energy: -31.183
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -51.223
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: 43
Temperature: 1.000000
Total energy: -411.564011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.564011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.564011 (E_RNA)
where:
Base-Base interactions energy: -273.892
where: short stacking energy: -117.179
Base-Backbone interact. energy: -0.135
local terms energy: -137.536553
where:
bonds (distance) C4'-P energy: -26.620
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -24.613
flat angles P-C4'-P energy: -22.284
tors. eta vs tors. theta energy: -30.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -458.357830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.357830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.357830 (E_RNA)
where:
Base-Base interactions energy: -294.226
where: short stacking energy: -124.234
Base-Backbone interact. energy: -0.219
local terms energy: -163.913450
where:
bonds (distance) C4'-P energy: -36.890
bonds (distance) P-C4' energy: -27.551
flat angles C4'-P-C4' energy: -36.925
flat angles P-C4'-P energy: -26.344
tors. eta vs tors. theta energy: -36.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -326.505099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.505099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.505099 (E_RNA)
where:
Base-Base interactions energy: -184.090
where: short stacking energy: -97.552
Base-Backbone interact. energy: 0.928
local terms energy: -143.343803
where:
bonds (distance) C4'-P energy: -30.981
bonds (distance) P-C4' energy: -32.624
flat angles C4'-P-C4' energy: -33.814
flat angles P-C4'-P energy: -19.193
tors. eta vs tors. theta energy: -26.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -319.036346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.036346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.036346 (E_RNA)
where:
Base-Base interactions energy: -190.573
where: short stacking energy: -108.723
Base-Backbone interact. energy: -0.255
local terms energy: -128.209218
where:
bonds (distance) C4'-P energy: -31.118
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -21.729
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -174.852854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.852854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.852854 (E_RNA)
where:
Base-Base interactions energy: -54.905
where: short stacking energy: -42.305
Base-Backbone interact. energy: -2.227
local terms energy: -117.720915
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -34.479
flat angles C4'-P-C4' energy: -28.533
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -181.217724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.217724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.217724 (E_RNA)
where:
Base-Base interactions energy: -61.450
where: short stacking energy: -44.860
Base-Backbone interact. energy: 0.439
local terms energy: -120.206977
where:
bonds (distance) C4'-P energy: -25.535
bonds (distance) P-C4' energy: -32.920
flat angles C4'-P-C4' energy: -34.590
flat angles P-C4'-P energy: -22.647
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -165.012947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.012947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.012947 (E_RNA)
where:
Base-Base interactions energy: -65.413
where: short stacking energy: -50.615
Base-Backbone interact. energy: -0.521
local terms energy: -99.078309
where:
bonds (distance) C4'-P energy: -26.094
bonds (distance) P-C4' energy: -31.607
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -167.885743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.885743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.885743 (E_RNA)
where:
Base-Base interactions energy: -58.184
where: short stacking energy: -44.096
Base-Backbone interact. energy: -0.892
local terms energy: -108.809877
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -26.362
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: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -500.319767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.319767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.319767 (E_RNA)
where:
Base-Base interactions energy: -323.837
where: short stacking energy: -150.290
Base-Backbone interact. energy: -0.508
local terms energy: -175.975249
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -35.641
flat angles C4'-P-C4' energy: -37.458
flat angles P-C4'-P energy: -31.325
tors. eta vs tors. theta energy: -40.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -513.758746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.758746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.758746 (E_RNA)
where:
Base-Base interactions energy: -328.151
where: short stacking energy: -150.730
Base-Backbone interact. energy: -0.336
local terms energy: -185.271306
where:
bonds (distance) C4'-P energy: -40.331
bonds (distance) P-C4' energy: -36.769
flat angles C4'-P-C4' energy: -34.994
flat angles P-C4'-P energy: -24.695
tors. eta vs tors. theta energy: -48.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -497.915929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.915929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.915929 (E_RNA)
where:
Base-Base interactions energy: -330.429
where: short stacking energy: -132.733
Base-Backbone interact. energy: -0.637
local terms energy: -166.849527
where:
bonds (distance) C4'-P energy: -31.200
bonds (distance) P-C4' energy: -35.404
flat angles C4'-P-C4' energy: -38.496
flat angles P-C4'-P energy: -18.961
tors. eta vs tors. theta energy: -42.790
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: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -372.305891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.305891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.305891 (E_RNA)
where:
Base-Base interactions energy: -235.929
where: short stacking energy: -95.968
Base-Backbone interact. energy: -0.656
local terms energy: -135.720150
where:
bonds (distance) C4'-P energy: -27.151
bonds (distance) P-C4' energy: -35.977
flat angles C4'-P-C4' energy: -36.728
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -332.254634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.254634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.254634 (E_RNA)
where:
Base-Base interactions energy: -199.157
where: short stacking energy: -109.774
Base-Backbone interact. energy: -0.459
local terms energy: -132.638894
where:
bonds (distance) C4'-P energy: -30.004
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -34.946
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -26.080
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: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -310.764723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.764723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.764723 (E_RNA)
where:
Base-Base interactions energy: -185.395
where: short stacking energy: -96.007
Base-Backbone interact. energy: -0.194
local terms energy: -125.175774
where:
bonds (distance) C4'-P energy: -32.746
bonds (distance) P-C4' energy: -28.570
flat angles C4'-P-C4' energy: -28.576
flat angles P-C4'-P energy: -20.258
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -235.577918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.577918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.577918 (E_RNA)
where:
Base-Base interactions energy: -116.229
where: short stacking energy: -59.569
Base-Backbone interact. energy: -0.748
local terms energy: -118.601333
where:
bonds (distance) C4'-P energy: -34.181
bonds (distance) P-C4' energy: -28.472
flat angles C4'-P-C4' energy: -30.213
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -178.178598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.178598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.178598 (E_RNA)
where:
Base-Base interactions energy: -84.625
where: short stacking energy: -46.398
Base-Backbone interact. energy: -0.346
local terms energy: -93.208417
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -32.654
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -166.507845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.507845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.507845 (E_RNA)
where:
Base-Base interactions energy: -75.512
where: short stacking energy: -45.425
Base-Backbone interact. energy: 0.831
local terms energy: -91.827212
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -31.422
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -157.925427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.925427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.925427 (E_RNA)
where:
Base-Base interactions energy: -63.586
where: short stacking energy: -55.282
Base-Backbone interact. energy: 0.785
local terms energy: -95.125280
where:
bonds (distance) C4'-P energy: -24.327
bonds (distance) P-C4' energy: -35.662
flat angles C4'-P-C4' energy: -28.303
flat angles P-C4'-P energy: -12.466
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: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -512.742966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.742966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.742966 (E_RNA)
where:
Base-Base interactions energy: -339.225
where: short stacking energy: -147.691
Base-Backbone interact. energy: 0.317
local terms energy: -173.835119
where:
bonds (distance) C4'-P energy: -35.692
bonds (distance) P-C4' energy: -38.526
flat angles C4'-P-C4' energy: -35.374
flat angles P-C4'-P energy: -24.706
tors. eta vs tors. theta energy: -39.536
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: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -527.469248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.469248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.469248 (E_RNA)
where:
Base-Base interactions energy: -339.985
where: short stacking energy: -152.351
Base-Backbone interact. energy: 1.236
local terms energy: -188.720442
where:
bonds (distance) C4'-P energy: -38.950
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -39.440
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -55.811
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: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -514.675914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.675914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.675914 (E_RNA)
where:
Base-Base interactions energy: -350.874
where: short stacking energy: -125.109
Base-Backbone interact. energy: -0.392
local terms energy: -163.410466
where:
bonds (distance) C4'-P energy: -34.263
bonds (distance) P-C4' energy: -34.792
flat angles C4'-P-C4' energy: -38.957
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -40.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -358.864200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.864200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.864200 (E_RNA)
where:
Base-Base interactions energy: -205.014
where: short stacking energy: -91.428
Base-Backbone interact. energy: 0.406
local terms energy: -154.256235
where:
bonds (distance) C4'-P energy: -32.988
bonds (distance) P-C4' energy: -37.930
flat angles C4'-P-C4' energy: -33.664
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -30.534
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: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -327.721141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.721141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.721141 (E_RNA)
where:
Base-Base interactions energy: -167.526
where: short stacking energy: -96.328
Base-Backbone interact. energy: -0.311
local terms energy: -159.883679
where:
bonds (distance) C4'-P energy: -40.214
bonds (distance) P-C4' energy: -31.404
flat angles C4'-P-C4' energy: -32.988
flat angles P-C4'-P energy: -26.370
tors. eta vs tors. theta energy: -28.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -315.090548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.090548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.090548 (E_RNA)
where:
Base-Base interactions energy: -193.087
where: short stacking energy: -98.566
Base-Backbone interact. energy: -1.626
local terms energy: -120.377384
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -30.858
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -19.368
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: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -195.097388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.097388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.097388 (E_RNA)
where:
Base-Base interactions energy: -73.932
where: short stacking energy: -62.699
Base-Backbone interact. energy: -0.852
local terms energy: -120.313329
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -34.858
flat angles C4'-P-C4' energy: -25.869
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -157.681375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.681375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.681375 (E_RNA)
where:
Base-Base interactions energy: -63.673
where: short stacking energy: -49.562
Base-Backbone interact. energy: -0.592
local terms energy: -93.416224
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -31.117
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: 3.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -156.024859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.024859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.024859 (E_RNA)
where:
Base-Base interactions energy: -52.241
where: short stacking energy: -49.329
Base-Backbone interact. energy: -0.624
local terms energy: -103.159950
where:
bonds (distance) C4'-P energy: -38.371
bonds (distance) P-C4' energy: -29.451
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -0.991
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: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -158.288161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.288161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.288161 (E_RNA)
where:
Base-Base interactions energy: -66.451
where: short stacking energy: -47.531
Base-Backbone interact. energy: 1.524
local terms energy: -93.361510
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -31.991
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -556.626521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.626521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.626521 (E_RNA)
where:
Base-Base interactions energy: -353.400
where: short stacking energy: -165.067
Base-Backbone interact. energy: -0.127
local terms energy: -203.099693
where:
bonds (distance) C4'-P energy: -36.289
bonds (distance) P-C4' energy: -36.859
flat angles C4'-P-C4' energy: -43.948
flat angles P-C4'-P energy: -27.121
tors. eta vs tors. theta energy: -58.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -487.649938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.649938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.649938 (E_RNA)
where:
Base-Base interactions energy: -313.949
where: short stacking energy: -138.769
Base-Backbone interact. energy: -0.334
local terms energy: -173.366791
where:
bonds (distance) C4'-P energy: -37.860
bonds (distance) P-C4' energy: -38.609
flat angles C4'-P-C4' energy: -34.794
flat angles P-C4'-P energy: -26.786
tors. eta vs tors. theta energy: -35.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -500.654229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.654229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.654229 (E_RNA)
where:
Base-Base interactions energy: -345.846
where: short stacking energy: -139.969
Base-Backbone interact. energy: -0.461
local terms energy: -154.347393
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -30.967
flat angles C4'-P-C4' energy: -37.745
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: -38.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -371.239571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.239571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.239571 (E_RNA)
where:
Base-Base interactions energy: -231.300
where: short stacking energy: -119.449
Base-Backbone interact. energy: -1.625
local terms energy: -138.313812
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -34.026
flat angles C4'-P-C4' energy: -34.781
flat angles P-C4'-P energy: -14.529
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: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -386.655739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.655739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.655739 (E_RNA)
where:
Base-Base interactions energy: -251.036
where: short stacking energy: -95.075
Base-Backbone interact. energy: -0.241
local terms energy: -135.378440
where:
bonds (distance) C4'-P energy: -35.119
bonds (distance) P-C4' energy: -28.141
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -23.696
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: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -292.991886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.991886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.991886 (E_RNA)
where:
Base-Base interactions energy: -148.708
where: short stacking energy: -82.615
Base-Backbone interact. energy: -0.544
local terms energy: -143.740638
where:
bonds (distance) C4'-P energy: -31.704
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -32.719
flat angles P-C4'-P energy: -24.119
tors. eta vs tors. theta energy: -17.770
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: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -183.536150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.536150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.536150 (E_RNA)
where:
Base-Base interactions energy: -79.933
where: short stacking energy: -44.619
Base-Backbone interact. energy: 1.653
local terms energy: -105.256840
where:
bonds (distance) C4'-P energy: -33.949
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -27.342
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -159.718956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.718956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.718956 (E_RNA)
where:
Base-Base interactions energy: -44.166
where: short stacking energy: -27.446
Base-Backbone interact. energy: -1.282
local terms energy: -114.271131
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -35.239
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: 6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -199.086383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.086383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.086383 (E_RNA)
where:
Base-Base interactions energy: -101.615
where: short stacking energy: -53.717
Base-Backbone interact. energy: 0.623
local terms energy: -98.094361
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -162.604497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.604497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.604497 (E_RNA)
where:
Base-Base interactions energy: -63.837
where: short stacking energy: -35.773
Base-Backbone interact. energy: -0.815
local terms energy: -97.952410
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -31.122
flat angles C4'-P-C4' energy: -26.117
flat angles P-C4'-P energy: -11.581
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: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -552.946254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.946254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.946254 (E_RNA)
where:
Base-Base interactions energy: -362.656
where: short stacking energy: -175.617
Base-Backbone interact. energy: -0.289
local terms energy: -190.001510
where:
bonds (distance) C4'-P energy: -33.004
bonds (distance) P-C4' energy: -33.860
flat angles C4'-P-C4' energy: -37.317
flat angles P-C4'-P energy: -28.053
tors. eta vs tors. theta energy: -57.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -519.641168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.641168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.641168 (E_RNA)
where:
Base-Base interactions energy: -355.798
where: short stacking energy: -148.752
Base-Backbone interact. energy: 1.714
local terms energy: -165.556763
where:
bonds (distance) C4'-P energy: -35.080
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -40.388
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -47.772
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: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -479.424487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.424487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.424487 (E_RNA)
where:
Base-Base interactions energy: -297.870
where: short stacking energy: -131.942
Base-Backbone interact. energy: -0.317
local terms energy: -181.237299
where:
bonds (distance) C4'-P energy: -38.579
bonds (distance) P-C4' energy: -34.430
flat angles C4'-P-C4' energy: -38.295
flat angles P-C4'-P energy: -28.679
tors. eta vs tors. theta energy: -41.254
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: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -393.653954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.653954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.653954 (E_RNA)
where:
Base-Base interactions energy: -244.282
where: short stacking energy: -103.790
Base-Backbone interact. energy: -0.612
local terms energy: -148.760055
where:
bonds (distance) C4'-P energy: -30.581
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -36.888
flat angles P-C4'-P energy: -26.486
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -362.738604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.738604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.738604 (E_RNA)
where:
Base-Base interactions energy: -222.408
where: short stacking energy: -85.080
Base-Backbone interact. energy: -0.986
local terms energy: -139.344836
where:
bonds (distance) C4'-P energy: -32.637
bonds (distance) P-C4' energy: -28.759
flat angles C4'-P-C4' energy: -34.278
flat angles P-C4'-P energy: -26.382
tors. eta vs tors. theta energy: -17.290
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: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -311.536734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.536734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.536734 (E_RNA)
where:
Base-Base interactions energy: -180.616
where: short stacking energy: -76.162
Base-Backbone interact. energy: -0.428
local terms energy: -130.493678
where:
bonds (distance) C4'-P energy: -28.654
bonds (distance) P-C4' energy: -35.964
flat angles C4'-P-C4' energy: -33.151
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -9.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -193.165268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.165268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.165268 (E_RNA)
where:
Base-Base interactions energy: -84.974
where: short stacking energy: -59.820
Base-Backbone interact. energy: 3.518
local terms energy: -111.709950
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -32.017
flat angles C4'-P-C4' energy: -27.206
flat angles P-C4'-P energy: -20.418
tors. eta vs tors. theta energy: -5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -173.349402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.349402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.349402 (E_RNA)
where:
Base-Base interactions energy: -69.566
where: short stacking energy: -58.275
Base-Backbone interact. energy: 1.139
local terms energy: -104.921892
where:
bonds (distance) C4'-P energy: -28.943
bonds (distance) P-C4' energy: -29.165
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -13.851
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: 47
Temperature: 1.300000
Total energy: -163.078094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.078094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.078094 (E_RNA)
where:
Base-Base interactions energy: -69.885
where: short stacking energy: -48.093
Base-Backbone interact. energy: -1.589
local terms energy: -91.604377
where:
bonds (distance) C4'-P energy: -28.369
bonds (distance) P-C4' energy: -34.459
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: 7.474
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: 47
Temperature: 1.350000
Total energy: -143.228483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.228483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.228483 (E_RNA)
where:
Base-Base interactions energy: -40.766
where: short stacking energy: -31.327
Base-Backbone interact. energy: -0.818
local terms energy: -101.644185
where:
bonds (distance) C4'-P energy: -31.284
bonds (distance) P-C4' energy: -39.303
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: 2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -544.011617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.011617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.011617 (E_RNA)
where:
Base-Base interactions energy: -354.059
where: short stacking energy: -169.888
Base-Backbone interact. energy: -0.028
local terms energy: -189.925263
where:
bonds (distance) C4'-P energy: -32.443
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -43.554
flat angles P-C4'-P energy: -27.874
tors. eta vs tors. theta energy: -56.461
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: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -510.238522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.238522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.238522 (E_RNA)
where:
Base-Base interactions energy: -335.423
where: short stacking energy: -143.118
Base-Backbone interact. energy: 0.141
local terms energy: -174.955786
where:
bonds (distance) C4'-P energy: -40.045
bonds (distance) P-C4' energy: -31.979
flat angles C4'-P-C4' energy: -41.605
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -41.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -486.867118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.867118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.867118 (E_RNA)
where:
Base-Base interactions energy: -319.550
where: short stacking energy: -135.589
Base-Backbone interact. energy: -0.496
local terms energy: -166.821308
where:
bonds (distance) C4'-P energy: -34.648
bonds (distance) P-C4' energy: -34.187
flat angles C4'-P-C4' energy: -34.489
flat angles P-C4'-P energy: -23.132
tors. eta vs tors. theta energy: -40.366
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: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -349.171981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.171981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.171981 (E_RNA)
where:
Base-Base interactions energy: -209.133
where: short stacking energy: -102.121
Base-Backbone interact. energy: 1.120
local terms energy: -141.158365
where:
bonds (distance) C4'-P energy: -32.983
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -37.164
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -20.613
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: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -372.896782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.896782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.896782 (E_RNA)
where:
Base-Base interactions energy: -233.056
where: short stacking energy: -91.217
Base-Backbone interact. energy: -0.952
local terms energy: -138.888460
where:
bonds (distance) C4'-P energy: -35.013
bonds (distance) P-C4' energy: -36.091
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -312.509758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.509758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.509758 (E_RNA)
where:
Base-Base interactions energy: -171.820
where: short stacking energy: -98.646
Base-Backbone interact. energy: -0.265
local terms energy: -140.425433
where:
bonds (distance) C4'-P energy: -31.665
bonds (distance) P-C4' energy: -33.030
flat angles C4'-P-C4' energy: -33.213
flat angles P-C4'-P energy: -24.584
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -211.367110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.367110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.367110 (E_RNA)
where:
Base-Base interactions energy: -115.047
where: short stacking energy: -56.942
Base-Backbone interact. energy: -1.211
local terms energy: -95.108456
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -34.684
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -2.440
tors. eta vs tors. theta energy: -4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -168.216303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.216303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.216303 (E_RNA)
where:
Base-Base interactions energy: -62.098
where: short stacking energy: -51.540
Base-Backbone interact. energy: -0.569
local terms energy: -105.549270
where:
bonds (distance) C4'-P energy: -34.344
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -19.152
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: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -153.524040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.524040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.524040 (E_RNA)
where:
Base-Base interactions energy: -54.697
where: short stacking energy: -44.519
Base-Backbone interact. energy: -0.473
local terms energy: -98.354432
where:
bonds (distance) C4'-P energy: -32.546
bonds (distance) P-C4' energy: -33.002
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: 5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -161.010393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.010393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.010393 (E_RNA)
where:
Base-Base interactions energy: -62.146
where: short stacking energy: -53.014
Base-Backbone interact. energy: -0.255
local terms energy: -98.609718
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -32.768
flat angles C4'-P-C4' energy: -25.756
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -10.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -543.254099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.254099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.254099 (E_RNA)
where:
Base-Base interactions energy: -340.061
where: short stacking energy: -165.976
Base-Backbone interact. energy: -1.305
local terms energy: -201.887958
where:
bonds (distance) C4'-P energy: -35.531
bonds (distance) P-C4' energy: -38.718
flat angles C4'-P-C4' energy: -40.326
flat angles P-C4'-P energy: -25.690
tors. eta vs tors. theta energy: -61.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -504.232471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.232471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.232471 (E_RNA)
where:
Base-Base interactions energy: -330.184
where: short stacking energy: -142.740
Base-Backbone interact. energy: -1.011
local terms energy: -173.037702
where:
bonds (distance) C4'-P energy: -39.124
bonds (distance) P-C4' energy: -34.741
flat angles C4'-P-C4' energy: -36.040
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -40.205
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: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -486.381563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.381563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.381563 (E_RNA)
where:
Base-Base interactions energy: -322.662
where: short stacking energy: -121.779
Base-Backbone interact. energy: -0.899
local terms energy: -162.820629
where:
bonds (distance) C4'-P energy: -29.899
bonds (distance) P-C4' energy: -36.485
flat angles C4'-P-C4' energy: -32.764
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -40.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -412.751353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.751353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.751353 (E_RNA)
where:
Base-Base interactions energy: -254.618
where: short stacking energy: -122.700
Base-Backbone interact. energy: 0.413
local terms energy: -158.546533
where:
bonds (distance) C4'-P energy: -30.522
bonds (distance) P-C4' energy: -35.910
flat angles C4'-P-C4' energy: -32.251
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -35.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -366.111178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.111178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.111178 (E_RNA)
where:
Base-Base interactions energy: -208.815
where: short stacking energy: -98.873
Base-Backbone interact. energy: -0.315
local terms energy: -156.981668
where:
bonds (distance) C4'-P energy: -27.200
bonds (distance) P-C4' energy: -31.374
flat angles C4'-P-C4' energy: -38.534
flat angles P-C4'-P energy: -31.375
tors. eta vs tors. theta energy: -28.499
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: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -290.023446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.023446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.023446 (E_RNA)
where:
Base-Base interactions energy: -159.662
where: short stacking energy: -72.188
Base-Backbone interact. energy: -0.410
local terms energy: -129.951668
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -38.813
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -25.129
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -192.122688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.122688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.122688 (E_RNA)
where:
Base-Base interactions energy: -75.239
where: short stacking energy: -51.165
Base-Backbone interact. energy: -0.885
local terms energy: -115.998998
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -38.546
flat angles C4'-P-C4' energy: -30.233
flat angles P-C4'-P energy: -17.431
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: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -176.771557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.771557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.771557 (E_RNA)
where:
Base-Base interactions energy: -55.978
where: short stacking energy: -51.019
Base-Backbone interact. energy: -0.904
local terms energy: -119.890196
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -31.621
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -29.565
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -169.940878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.940878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.940878 (E_RNA)
where:
Base-Base interactions energy: -52.669
where: short stacking energy: -46.409
Base-Backbone interact. energy: -0.448
local terms energy: -116.824575
where:
bonds (distance) C4'-P energy: -34.734
bonds (distance) P-C4' energy: -37.889
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -14.050
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: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -141.959089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.959089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.959089 (E_RNA)
where:
Base-Base interactions energy: -51.889
where: short stacking energy: -39.344
Base-Backbone interact. energy: 0.640
local terms energy: -90.710115
where:
bonds (distance) C4'-P energy: -26.829
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: 6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -540.168076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.168076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.168076 (E_RNA)
where:
Base-Base interactions energy: -350.169
where: short stacking energy: -173.247
Base-Backbone interact. energy: -0.056
local terms energy: -189.943270
where:
bonds (distance) C4'-P energy: -33.408
bonds (distance) P-C4' energy: -37.406
flat angles C4'-P-C4' energy: -32.474
flat angles P-C4'-P energy: -27.482
tors. eta vs tors. theta energy: -59.174
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: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -519.399480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.399480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.399480 (E_RNA)
where:
Base-Base interactions energy: -355.195
where: short stacking energy: -136.747
Base-Backbone interact. energy: -0.599
local terms energy: -163.606118
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -33.295
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -27.784
tors. eta vs tors. theta energy: -46.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -487.193680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.193680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.193680 (E_RNA)
where:
Base-Base interactions energy: -317.605
where: short stacking energy: -129.734
Base-Backbone interact. energy: -1.121
local terms energy: -168.467858
where:
bonds (distance) C4'-P energy: -36.259
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -37.293
flat angles P-C4'-P energy: -27.572
tors. eta vs tors. theta energy: -36.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -409.444194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.444194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.444194 (E_RNA)
where:
Base-Base interactions energy: -253.278
where: short stacking energy: -125.704
Base-Backbone interact. energy: -0.293
local terms energy: -155.873465
where:
bonds (distance) C4'-P energy: -28.766
bonds (distance) P-C4' energy: -41.044
flat angles C4'-P-C4' energy: -36.438
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -29.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -372.909176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.909176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.909176 (E_RNA)
where:
Base-Base interactions energy: -211.227
where: short stacking energy: -118.370
Base-Backbone interact. energy: -0.744
local terms energy: -160.938466
where:
bonds (distance) C4'-P energy: -34.179
bonds (distance) P-C4' energy: -32.814
flat angles C4'-P-C4' energy: -34.369
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -43.909
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: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -258.931690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.931690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.931690 (E_RNA)
where:
Base-Base interactions energy: -142.120
where: short stacking energy: -78.142
Base-Backbone interact. energy: 1.087
local terms energy: -117.898433
where:
bonds (distance) C4'-P energy: -33.510
bonds (distance) P-C4' energy: -31.605
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -171.076144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.076144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.076144 (E_RNA)
where:
Base-Base interactions energy: -68.939
where: short stacking energy: -48.303
Base-Backbone interact. energy: -0.479
local terms energy: -101.658544
where:
bonds (distance) C4'-P energy: -35.738
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: 1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -179.000769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.000769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.000769 (E_RNA)
where:
Base-Base interactions energy: -82.657
where: short stacking energy: -54.677
Base-Backbone interact. energy: -0.457
local terms energy: -95.886945
where:
bonds (distance) C4'-P energy: -33.360
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -171.613735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.613735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.613735 (E_RNA)
where:
Base-Base interactions energy: -66.265
where: short stacking energy: -45.636
Base-Backbone interact. energy: -0.626
local terms energy: -104.722511
where:
bonds (distance) C4'-P energy: -33.993
bonds (distance) P-C4' energy: -33.182
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -19.053
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: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -147.211469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.211469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.211469 (E_RNA)
where:
Base-Base interactions energy: -49.381
where: short stacking energy: -37.362
Base-Backbone interact. energy: -0.646
local terms energy: -97.185192
where:
bonds (distance) C4'-P energy: -25.395
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: 4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -546.678583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.678583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.678583 (E_RNA)
where:
Base-Base interactions energy: -349.453
where: short stacking energy: -168.475
Base-Backbone interact. energy: -0.691
local terms energy: -196.534610
where:
bonds (distance) C4'-P energy: -35.667
bonds (distance) P-C4' energy: -33.971
flat angles C4'-P-C4' energy: -42.742
flat angles P-C4'-P energy: -26.887
tors. eta vs tors. theta energy: -57.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -531.427631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.427631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.427631 (E_RNA)
where:
Base-Base interactions energy: -360.886
where: short stacking energy: -134.174
Base-Backbone interact. energy: -1.222
local terms energy: -169.319581
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -31.147
flat angles C4'-P-C4' energy: -35.848
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -45.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -482.189562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.189562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.189562 (E_RNA)
where:
Base-Base interactions energy: -325.827
where: short stacking energy: -134.224
Base-Backbone interact. energy: -1.121
local terms energy: -155.242110
where:
bonds (distance) C4'-P energy: -30.603
bonds (distance) P-C4' energy: -31.454
flat angles C4'-P-C4' energy: -35.422
flat angles P-C4'-P energy: -23.802
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: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -381.775307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.775307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.775307 (E_RNA)
where:
Base-Base interactions energy: -227.358
where: short stacking energy: -110.068
Base-Backbone interact. energy: -0.142
local terms energy: -154.275449
where:
bonds (distance) C4'-P energy: -32.894
bonds (distance) P-C4' energy: -36.947
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -24.229
tors. eta vs tors. theta energy: -26.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -369.120877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.120877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.120877 (E_RNA)
where:
Base-Base interactions energy: -230.132
where: short stacking energy: -98.166
Base-Backbone interact. energy: 2.168
local terms energy: -141.156042
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -34.564
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -31.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -306.380534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.380534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.380534 (E_RNA)
where:
Base-Base interactions energy: -186.542
where: short stacking energy: -94.294
Base-Backbone interact. energy: -0.829
local terms energy: -119.009660
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -34.470
flat angles C4'-P-C4' energy: -28.465
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -20.000
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: 51
Temperature: 1.200000
Total energy: -196.840429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.840429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.840429 (E_RNA)
where:
Base-Base interactions energy: -73.222
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.068
local terms energy: -123.549814
where:
bonds (distance) C4'-P energy: -31.325
bonds (distance) P-C4' energy: -35.635
flat angles C4'-P-C4' energy: -35.400
flat angles P-C4'-P energy: -18.149
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: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -218.302640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.302640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.302640 (E_RNA)
where:
Base-Base interactions energy: -105.719
where: short stacking energy: -57.266
Base-Backbone interact. energy: -0.631
local terms energy: -111.952558
where:
bonds (distance) C4'-P energy: -33.056
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -150.824397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.824397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.824397 (E_RNA)
where:
Base-Base interactions energy: -52.499
where: short stacking energy: -16.758
Base-Backbone interact. energy: -0.320
local terms energy: -98.005328
where:
bonds (distance) C4'-P energy: -33.362
bonds (distance) P-C4' energy: -33.214
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: 10.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -138.930180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.930180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.930180 (E_RNA)
where:
Base-Base interactions energy: -46.872
where: short stacking energy: -40.134
Base-Backbone interact. energy: -0.568
local terms energy: -91.490333
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -29.587
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: 5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -539.525325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.525325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.525325 (E_RNA)
where:
Base-Base interactions energy: -377.447
where: short stacking energy: -140.396
Base-Backbone interact. energy: 0.021
local terms energy: -162.098801
where:
bonds (distance) C4'-P energy: -31.611
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -33.987
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -43.114
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: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -528.292473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.292473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.292473 (E_RNA)
where:
Base-Base interactions energy: -335.750
where: short stacking energy: -164.786
Base-Backbone interact. energy: -0.510
local terms energy: -192.032546
where:
bonds (distance) C4'-P energy: -36.583
bonds (distance) P-C4' energy: -32.957
flat angles C4'-P-C4' energy: -37.902
flat angles P-C4'-P energy: -26.833
tors. eta vs tors. theta energy: -57.757
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: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -492.623369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.623369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.623369 (E_RNA)
where:
Base-Base interactions energy: -329.914
where: short stacking energy: -139.508
Base-Backbone interact. energy: -0.566
local terms energy: -162.143233
where:
bonds (distance) C4'-P energy: -35.742
bonds (distance) P-C4' energy: -31.082
flat angles C4'-P-C4' energy: -26.736
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -40.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -386.799637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.799637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.799637 (E_RNA)
where:
Base-Base interactions energy: -228.939
where: short stacking energy: -117.245
Base-Backbone interact. energy: -0.578
local terms energy: -157.282544
where:
bonds (distance) C4'-P energy: -37.704
bonds (distance) P-C4' energy: -34.522
flat angles C4'-P-C4' energy: -30.108
flat angles P-C4'-P energy: -23.436
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: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -332.959669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.959669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.959669 (E_RNA)
where:
Base-Base interactions energy: -192.988
where: short stacking energy: -109.105
Base-Backbone interact. energy: 0.701
local terms energy: -140.673302
where:
bonds (distance) C4'-P energy: -32.194
bonds (distance) P-C4' energy: -27.919
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -23.434
tors. eta vs tors. theta energy: -29.748
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: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -359.778971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.778971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.778971 (E_RNA)
where:
Base-Base interactions energy: -226.133
where: short stacking energy: -88.712
Base-Backbone interact. energy: -0.157
local terms energy: -133.489107
where:
bonds (distance) C4'-P energy: -32.894
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -172.308045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.308045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.308045 (E_RNA)
where:
Base-Base interactions energy: -65.867
where: short stacking energy: -44.057
Base-Backbone interact. energy: -1.497
local terms energy: -104.944109
where:
bonds (distance) C4'-P energy: -34.957
bonds (distance) P-C4' energy: -24.590
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: 5.280
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: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -196.140686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.140686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.140686 (E_RNA)
where:
Base-Base interactions energy: -76.719
where: short stacking energy: -43.880
Base-Backbone interact. energy: -1.185
local terms energy: -118.237326
where:
bonds (distance) C4'-P energy: -37.733
bonds (distance) P-C4' energy: -33.887
flat angles C4'-P-C4' energy: -28.371
flat angles P-C4'-P energy: -17.212
tors. eta vs tors. theta energy: -1.033
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: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -174.593023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.593023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.593023 (E_RNA)
where:
Base-Base interactions energy: -64.089
where: short stacking energy: -45.924
Base-Backbone interact. energy: -0.897
local terms energy: -109.606614
where:
bonds (distance) C4'-P energy: -34.099
bonds (distance) P-C4' energy: -29.299
flat angles C4'-P-C4' energy: -30.423
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: 5.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -171.514513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.514513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.514513 (E_RNA)
where:
Base-Base interactions energy: -55.876
where: short stacking energy: -47.053
Base-Backbone interact. energy: -0.353
local terms energy: -115.286039
where:
bonds (distance) C4'-P energy: -30.113
bonds (distance) P-C4' energy: -37.203
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -18.131
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -534.822551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.822551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.822551 (E_RNA)
where:
Base-Base interactions energy: -356.487
where: short stacking energy: -156.511
Base-Backbone interact. energy: 2.234
local terms energy: -180.570319
where:
bonds (distance) C4'-P energy: -30.015
bonds (distance) P-C4' energy: -38.153
flat angles C4'-P-C4' energy: -39.331
flat angles P-C4'-P energy: -25.320
tors. eta vs tors. theta energy: -47.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -535.524904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.524904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.524904 (E_RNA)
where:
Base-Base interactions energy: -345.763
where: short stacking energy: -171.509
Base-Backbone interact. energy: -0.417
local terms energy: -189.344007
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -33.351
flat angles C4'-P-C4' energy: -38.658
flat angles P-C4'-P energy: -26.658
tors. eta vs tors. theta energy: -59.586
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: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -476.168456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.168456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.168456 (E_RNA)
where:
Base-Base interactions energy: -325.622
where: short stacking energy: -128.163
Base-Backbone interact. energy: -0.680
local terms energy: -149.866165
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -29.831
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -39.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -397.928963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.928963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.928963 (E_RNA)
where:
Base-Base interactions energy: -243.084
where: short stacking energy: -105.753
Base-Backbone interact. energy: -1.033
local terms energy: -153.812262
where:
bonds (distance) C4'-P energy: -34.798
bonds (distance) P-C4' energy: -34.814
flat angles C4'-P-C4' energy: -37.957
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -24.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -312.076054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.076054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.076054 (E_RNA)
where:
Base-Base interactions energy: -178.979
where: short stacking energy: -107.173
Base-Backbone interact. energy: -0.214
local terms energy: -132.883757
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -35.850
flat angles C4'-P-C4' energy: -26.781
flat angles P-C4'-P energy: -21.236
tors. eta vs tors. theta energy: -26.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -325.797105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.797105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.797105 (E_RNA)
where:
Base-Base interactions energy: -199.092
where: short stacking energy: -93.296
Base-Backbone interact. energy: -1.388
local terms energy: -125.317091
where:
bonds (distance) C4'-P energy: -35.580
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -32.740
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -207.571050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.571050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.571050 (E_RNA)
where:
Base-Base interactions energy: -91.086
where: short stacking energy: -59.941
Base-Backbone interact. energy: 0.213
local terms energy: -116.698277
where:
bonds (distance) C4'-P energy: -26.123
bonds (distance) P-C4' energy: -32.104
flat angles C4'-P-C4' energy: -30.695
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -202.314190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.314190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.314190 (E_RNA)
where:
Base-Base interactions energy: -106.277
where: short stacking energy: -49.226
Base-Backbone interact. energy: -0.443
local terms energy: -95.594921
where:
bonds (distance) C4'-P energy: -31.373
bonds (distance) P-C4' energy: -30.686
flat angles C4'-P-C4' energy: -23.078
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -177.113623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.113623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.113623 (E_RNA)
where:
Base-Base interactions energy: -75.447
where: short stacking energy: -49.316
Base-Backbone interact. energy: 3.472
local terms energy: -105.138500
where:
bonds (distance) C4'-P energy: -27.118
bonds (distance) P-C4' energy: -40.748
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: 0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -151.341915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.341915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.341915 (E_RNA)
where:
Base-Base interactions energy: -50.813
where: short stacking energy: -41.262
Base-Backbone interact. energy: 0.035
local terms energy: -100.563915
where:
bonds (distance) C4'-P energy: -27.203
bonds (distance) P-C4' energy: -29.092
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -544.717709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.717709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.717709 (E_RNA)
where:
Base-Base interactions energy: -356.407
where: short stacking energy: -171.163
Base-Backbone interact. energy: -0.415
local terms energy: -187.895715
where:
bonds (distance) C4'-P energy: -37.000
bonds (distance) P-C4' energy: -33.880
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -25.664
tors. eta vs tors. theta energy: -58.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -527.188136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.188136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.188136 (E_RNA)
where:
Base-Base interactions energy: -368.400
where: short stacking energy: -127.523
Base-Backbone interact. energy: -1.546
local terms energy: -157.242505
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -36.846
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: -41.364
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: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -489.156278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.156278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.156278 (E_RNA)
where:
Base-Base interactions energy: -326.001
where: short stacking energy: -148.834
Base-Backbone interact. energy: -0.309
local terms energy: -162.845789
where:
bonds (distance) C4'-P energy: -26.453
bonds (distance) P-C4' energy: -34.106
flat angles C4'-P-C4' energy: -37.685
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -45.720
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: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -366.656389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.656389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.656389 (E_RNA)
where:
Base-Base interactions energy: -220.433
where: short stacking energy: -110.688
Base-Backbone interact. energy: -0.770
local terms energy: -145.454104
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -35.102
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: -28.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -328.830076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.830076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.830076 (E_RNA)
where:
Base-Base interactions energy: -199.057
where: short stacking energy: -87.144
Base-Backbone interact. energy: -0.119
local terms energy: -129.654360
where:
bonds (distance) C4'-P energy: -24.925
bonds (distance) P-C4' energy: -32.418
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -25.686
tors. eta vs tors. theta energy: -21.491
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: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -292.696245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.696245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.696245 (E_RNA)
where:
Base-Base interactions energy: -162.801
where: short stacking energy: -71.582
Base-Backbone interact. energy: 0.925
local terms energy: -130.820067
where:
bonds (distance) C4'-P energy: -32.253
bonds (distance) P-C4' energy: -30.608
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: -21.359
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: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -180.698643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.698643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.698643 (E_RNA)
where:
Base-Base interactions energy: -73.722
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.532
local terms energy: -106.444366
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -35.915
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -196.651924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.651924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.651924 (E_RNA)
where:
Base-Base interactions energy: -83.788
where: short stacking energy: -40.087
Base-Backbone interact. energy: -0.736
local terms energy: -112.127697
where:
bonds (distance) C4'-P energy: -31.933
bonds (distance) P-C4' energy: -32.448
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -24.815
tors. eta vs tors. theta energy: 0.249
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: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -146.564775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.564775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.564775 (E_RNA)
where:
Base-Base interactions energy: -43.846
where: short stacking energy: -24.366
Base-Backbone interact. energy: -0.200
local terms energy: -102.517986
where:
bonds (distance) C4'-P energy: -25.213
bonds (distance) P-C4' energy: -31.227
flat angles C4'-P-C4' energy: -33.542
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: 3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -163.638767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.638767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.638767 (E_RNA)
where:
Base-Base interactions energy: -61.195
where: short stacking energy: -26.074
Base-Backbone interact. energy: 0.677
local terms energy: -103.120788
where:
bonds (distance) C4'-P energy: -28.626
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -27.605
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -539.230260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.230260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.230260 (E_RNA)
where:
Base-Base interactions energy: -350.191
where: short stacking energy: -169.808
Base-Backbone interact. energy: -1.440
local terms energy: -187.599385
where:
bonds (distance) C4'-P energy: -37.949
bonds (distance) P-C4' energy: -34.728
flat angles C4'-P-C4' energy: -35.234
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -57.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -503.635402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.635402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.635402 (E_RNA)
where:
Base-Base interactions energy: -346.243
where: short stacking energy: -131.550
Base-Backbone interact. energy: -0.546
local terms energy: -156.846752
where:
bonds (distance) C4'-P energy: -35.034
bonds (distance) P-C4' energy: -25.156
flat angles C4'-P-C4' energy: -34.761
flat angles P-C4'-P energy: -23.615
tors. eta vs tors. theta energy: -38.282
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: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -484.132772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.132772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.132772 (E_RNA)
where:
Base-Base interactions energy: -325.156
where: short stacking energy: -132.934
Base-Backbone interact. energy: 1.616
local terms energy: -160.593556
where:
bonds (distance) C4'-P energy: -30.800
bonds (distance) P-C4' energy: -24.999
flat angles C4'-P-C4' energy: -37.311
flat angles P-C4'-P energy: -27.826
tors. eta vs tors. theta energy: -39.657
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: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -354.862228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.862228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.862228 (E_RNA)
where:
Base-Base interactions energy: -215.325
where: short stacking energy: -99.321
Base-Backbone interact. energy: -0.525
local terms energy: -139.011839
where:
bonds (distance) C4'-P energy: -33.302
bonds (distance) P-C4' energy: -33.493
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -15.526
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: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -344.606411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.606411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.606411 (E_RNA)
where:
Base-Base interactions energy: -201.206
where: short stacking energy: -95.762
Base-Backbone interact. energy: -1.523
local terms energy: -141.877707
where:
bonds (distance) C4'-P energy: -29.630
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -33.279
flat angles P-C4'-P energy: -25.465
tors. eta vs tors. theta energy: -21.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -323.590656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.590656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.590656 (E_RNA)
where:
Base-Base interactions energy: -188.937
where: short stacking energy: -106.525
Base-Backbone interact. energy: -0.067
local terms energy: -134.585910
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -31.966
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -192.327157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.327157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.327157 (E_RNA)
where:
Base-Base interactions energy: -90.325
where: short stacking energy: -59.481
Base-Backbone interact. energy: -0.888
local terms energy: -101.113802
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -34.947
flat angles C4'-P-C4' energy: -27.635
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -168.120520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.120520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.120520 (E_RNA)
where:
Base-Base interactions energy: -46.871
where: short stacking energy: -44.801
Base-Backbone interact. energy: 1.951
local terms energy: -123.200880
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -33.740
flat angles C4'-P-C4' energy: -34.522
flat angles P-C4'-P energy: -24.655
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -171.581716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.581716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.581716 (E_RNA)
where:
Base-Base interactions energy: -59.327
where: short stacking energy: -49.281
Base-Backbone interact. energy: -0.392
local terms energy: -111.862087
where:
bonds (distance) C4'-P energy: -36.393
bonds (distance) P-C4' energy: -26.566
flat angles C4'-P-C4' energy: -28.059
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -158.915152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.915152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.915152 (E_RNA)
where:
Base-Base interactions energy: -46.279
where: short stacking energy: -22.415
Base-Backbone interact. energy: -0.477
local terms energy: -112.158440
where:
bonds (distance) C4'-P energy: -26.631
bonds (distance) P-C4' energy: -36.825
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: 6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -547.533001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.533001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.533001 (E_RNA)
where:
Base-Base interactions energy: -349.239
where: short stacking energy: -164.888
Base-Backbone interact. energy: -0.035
local terms energy: -198.259199
where:
bonds (distance) C4'-P energy: -31.204
bonds (distance) P-C4' energy: -37.707
flat angles C4'-P-C4' energy: -45.193
flat angles P-C4'-P energy: -29.847
tors. eta vs tors. theta energy: -54.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -530.704110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.704110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.704110 (E_RNA)
where:
Base-Base interactions energy: -364.117
where: short stacking energy: -141.886
Base-Backbone interact. energy: -0.615
local terms energy: -165.972010
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -30.813
flat angles C4'-P-C4' energy: -38.279
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -47.379
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: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -487.166307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.166307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.166307 (E_RNA)
where:
Base-Base interactions energy: -324.630
where: short stacking energy: -132.011
Base-Backbone interact. energy: -1.000
local terms energy: -161.535935
where:
bonds (distance) C4'-P energy: -38.044
bonds (distance) P-C4' energy: -35.917
flat angles C4'-P-C4' energy: -33.607
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -38.019
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: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -347.457178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.457178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.457178 (E_RNA)
where:
Base-Base interactions energy: -202.901
where: short stacking energy: -104.744
Base-Backbone interact. energy: 1.914
local terms energy: -146.470055
where:
bonds (distance) C4'-P energy: -36.170
bonds (distance) P-C4' energy: -33.559
flat angles C4'-P-C4' energy: -35.545
flat angles P-C4'-P energy: -24.135
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -358.272945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.272945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.272945 (E_RNA)
where:
Base-Base interactions energy: -211.522
where: short stacking energy: -100.613
Base-Backbone interact. energy: -0.167
local terms energy: -146.583353
where:
bonds (distance) C4'-P energy: -33.735
bonds (distance) P-C4' energy: -34.591
flat angles C4'-P-C4' energy: -36.334
flat angles P-C4'-P energy: -14.975
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: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -327.666897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.666897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.666897 (E_RNA)
where:
Base-Base interactions energy: -188.080
where: short stacking energy: -83.083
Base-Backbone interact. energy: -0.806
local terms energy: -138.781266
where:
bonds (distance) C4'-P energy: -37.009
bonds (distance) P-C4' energy: -38.238
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -16.925
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: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -221.092025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.092025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.092025 (E_RNA)
where:
Base-Base interactions energy: -100.834
where: short stacking energy: -75.619
Base-Backbone interact. energy: -0.804
local terms energy: -119.453990
where:
bonds (distance) C4'-P energy: -34.954
bonds (distance) P-C4' energy: -33.157
flat angles C4'-P-C4' energy: -28.459
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -175.268909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.268909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.268909 (E_RNA)
where:
Base-Base interactions energy: -53.877
where: short stacking energy: -48.226
Base-Backbone interact. energy: -0.440
local terms energy: -120.951916
where:
bonds (distance) C4'-P energy: -34.347
bonds (distance) P-C4' energy: -33.172
flat angles C4'-P-C4' energy: -25.888
flat angles P-C4'-P energy: -26.013
tors. eta vs tors. theta energy: -1.532
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: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -165.771153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.771153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.771153 (E_RNA)
where:
Base-Base interactions energy: -71.562
where: short stacking energy: -58.852
Base-Backbone interact. energy: 3.007
local terms energy: -97.215971
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -28.920
flat angles C4'-P-C4' energy: -31.618
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -1.526
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: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -157.857422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.857422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.857422 (E_RNA)
where:
Base-Base interactions energy: -47.765
where: short stacking energy: -28.813
Base-Backbone interact. energy: -0.852
local terms energy: -109.239704
where:
bonds (distance) C4'-P energy: -37.014
bonds (distance) P-C4' energy: -32.549
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: 6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -550.569425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.569425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.569425 (E_RNA)
where:
Base-Base interactions energy: -361.535
where: short stacking energy: -180.257
Base-Backbone interact. energy: -0.287
local terms energy: -188.747751
where:
bonds (distance) C4'-P energy: -35.003
bonds (distance) P-C4' energy: -38.015
flat angles C4'-P-C4' energy: -36.573
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: -56.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -506.101700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.101700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.101700 (E_RNA)
where:
Base-Base interactions energy: -324.852
where: short stacking energy: -137.629
Base-Backbone interact. energy: -0.442
local terms energy: -180.807856
where:
bonds (distance) C4'-P energy: -39.738
bonds (distance) P-C4' energy: -33.709
flat angles C4'-P-C4' energy: -39.358
flat angles P-C4'-P energy: -23.422
tors. eta vs tors. theta energy: -44.582
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: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -459.598359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.598359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.598359 (E_RNA)
where:
Base-Base interactions energy: -300.568
where: short stacking energy: -123.094
Base-Backbone interact. energy: 4.499
local terms energy: -163.529091
where:
bonds (distance) C4'-P energy: -30.221
bonds (distance) P-C4' energy: -38.625
flat angles C4'-P-C4' energy: -37.661
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -36.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -419.669473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.669473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.669473 (E_RNA)
where:
Base-Base interactions energy: -258.901
where: short stacking energy: -122.410
Base-Backbone interact. energy: -1.767
local terms energy: -159.001543
where:
bonds (distance) C4'-P energy: -35.766
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -38.839
flat angles P-C4'-P energy: -22.430
tors. eta vs tors. theta energy: -35.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -327.454396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.454396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.454396 (E_RNA)
where:
Base-Base interactions energy: -198.306
where: short stacking energy: -89.361
Base-Backbone interact. energy: -1.051
local terms energy: -128.097858
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -274.292006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.292006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.292006 (E_RNA)
where:
Base-Base interactions energy: -141.576
where: short stacking energy: -70.876
Base-Backbone interact. energy: 1.931
local terms energy: -134.646768
where:
bonds (distance) C4'-P energy: -27.527
bonds (distance) P-C4' energy: -37.814
flat angles C4'-P-C4' energy: -29.367
flat angles P-C4'-P energy: -26.081
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -178.348965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.348965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.348965 (E_RNA)
where:
Base-Base interactions energy: -72.216
where: short stacking energy: -39.313
Base-Backbone interact. energy: -0.811
local terms energy: -105.322076
where:
bonds (distance) C4'-P energy: -29.698
bonds (distance) P-C4' energy: -24.853
flat angles C4'-P-C4' energy: -25.957
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -176.417060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.417060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.417060 (E_RNA)
where:
Base-Base interactions energy: -64.612
where: short stacking energy: -32.077
Base-Backbone interact. energy: -0.582
local terms energy: -111.223029
where:
bonds (distance) C4'-P energy: -32.037
bonds (distance) P-C4' energy: -40.333
flat angles C4'-P-C4' energy: -27.765
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: 7.613
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: 57
Temperature: 1.300000
Total energy: -198.414839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.414839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.414839 (E_RNA)
where:
Base-Base interactions energy: -103.138
where: short stacking energy: -46.464
Base-Backbone interact. energy: 0.358
local terms energy: -95.634278
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -27.391
flat angles P-C4'-P energy: -19.291
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -153.937842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.937842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.937842 (E_RNA)
where:
Base-Base interactions energy: -61.475
where: short stacking energy: -38.213
Base-Backbone interact. energy: 1.147
local terms energy: -93.610177
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -28.826
flat angles C4'-P-C4' energy: -32.899
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: 12.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -518.458126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.458126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.458126 (E_RNA)
where:
Base-Base interactions energy: -351.587
where: short stacking energy: -139.329
Base-Backbone interact. energy: -1.424
local terms energy: -165.447494
where:
bonds (distance) C4'-P energy: -31.994
bonds (distance) P-C4' energy: -32.089
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -40.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -541.630121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.630121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.630121 (E_RNA)
where:
Base-Base interactions energy: -359.089
where: short stacking energy: -174.480
Base-Backbone interact. energy: -0.027
local terms energy: -182.514172
where:
bonds (distance) C4'-P energy: -33.858
bonds (distance) P-C4' energy: -28.354
flat angles C4'-P-C4' energy: -36.369
flat angles P-C4'-P energy: -21.572
tors. eta vs tors. theta energy: -62.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -464.720642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.720642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.720642 (E_RNA)
where:
Base-Base interactions energy: -308.222
where: short stacking energy: -117.663
Base-Backbone interact. energy: 0.722
local terms energy: -157.221133
where:
bonds (distance) C4'-P energy: -29.196
bonds (distance) P-C4' energy: -35.373
flat angles C4'-P-C4' energy: -34.403
flat angles P-C4'-P energy: -25.768
tors. eta vs tors. theta energy: -32.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -454.144145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.144145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.144145 (E_RNA)
where:
Base-Base interactions energy: -277.103
where: short stacking energy: -128.278
Base-Backbone interact. energy: -0.024
local terms energy: -177.017573
where:
bonds (distance) C4'-P energy: -40.231
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -39.105
flat angles P-C4'-P energy: -23.822
tors. eta vs tors. theta energy: -41.026
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: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -328.899840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.899840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.899840 (E_RNA)
where:
Base-Base interactions energy: -181.532
where: short stacking energy: -86.800
Base-Backbone interact. energy: -2.062
local terms energy: -145.306493
where:
bonds (distance) C4'-P energy: -31.911
bonds (distance) P-C4' energy: -36.802
flat angles C4'-P-C4' energy: -32.310
flat angles P-C4'-P energy: -15.005
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: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -266.138047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.138047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.138047 (E_RNA)
where:
Base-Base interactions energy: -127.567
where: short stacking energy: -79.497
Base-Backbone interact. energy: -1.149
local terms energy: -137.421588
where:
bonds (distance) C4'-P energy: -30.882
bonds (distance) P-C4' energy: -37.924
flat angles C4'-P-C4' energy: -30.942
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: -10.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -194.269139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.269139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.269139 (E_RNA)
where:
Base-Base interactions energy: -96.313
where: short stacking energy: -49.719
Base-Backbone interact. energy: 2.237
local terms energy: -100.193353
where:
bonds (distance) C4'-P energy: -30.090
bonds (distance) P-C4' energy: -40.446
flat angles C4'-P-C4' energy: -25.734
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: 12.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -173.251684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.251684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.251684 (E_RNA)
where:
Base-Base interactions energy: -62.817
where: short stacking energy: -49.072
Base-Backbone interact. energy: -0.805
local terms energy: -109.629320
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -29.859
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -5.496
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: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -188.095797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.095797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.095797 (E_RNA)
where:
Base-Base interactions energy: -88.138
where: short stacking energy: -38.133
Base-Backbone interact. energy: 0.122
local terms energy: -100.080527
where:
bonds (distance) C4'-P energy: -29.921
bonds (distance) P-C4' energy: -37.207
flat angles C4'-P-C4' energy: -26.284
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -149.812009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.812009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.812009 (E_RNA)
where:
Base-Base interactions energy: -50.875
where: short stacking energy: -48.099
Base-Backbone interact. energy: -0.418
local terms energy: -98.519256
where:
bonds (distance) C4'-P energy: -26.541
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -19.029
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -525.982839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.982839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.982839 (E_RNA)
where:
Base-Base interactions energy: -348.426
where: short stacking energy: -132.599
Base-Backbone interact. energy: -0.844
local terms energy: -176.712955
where:
bonds (distance) C4'-P energy: -29.577
bonds (distance) P-C4' energy: -33.275
flat angles C4'-P-C4' energy: -39.426
flat angles P-C4'-P energy: -24.450
tors. eta vs tors. theta energy: -49.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -544.826181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.826181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.826181 (E_RNA)
where:
Base-Base interactions energy: -362.330
where: short stacking energy: -174.013
Base-Backbone interact. energy: -0.603
local terms energy: -181.893191
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -31.910
flat angles C4'-P-C4' energy: -40.869
flat angles P-C4'-P energy: -25.677
tors. eta vs tors. theta energy: -59.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -491.464459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.464459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.464459 (E_RNA)
where:
Base-Base interactions energy: -336.489
where: short stacking energy: -124.678
Base-Backbone interact. energy: -1.451
local terms energy: -153.524512
where:
bonds (distance) C4'-P energy: -37.101
bonds (distance) P-C4' energy: -31.434
flat angles C4'-P-C4' energy: -33.783
flat angles P-C4'-P energy: -22.564
tors. eta vs tors. theta energy: -28.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -443.087689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.087689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.087689 (E_RNA)
where:
Base-Base interactions energy: -281.172
where: short stacking energy: -128.330
Base-Backbone interact. energy: -0.683
local terms energy: -161.232188
where:
bonds (distance) C4'-P energy: -35.110
bonds (distance) P-C4' energy: -32.263
flat angles C4'-P-C4' energy: -31.096
flat angles P-C4'-P energy: -24.267
tors. eta vs tors. theta energy: -38.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -315.910796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.910796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.910796 (E_RNA)
where:
Base-Base interactions energy: -184.299
where: short stacking energy: -84.120
Base-Backbone interact. energy: -0.671
local terms energy: -130.941544
where:
bonds (distance) C4'-P energy: -32.721
bonds (distance) P-C4' energy: -37.099
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -25.454
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -278.032116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.032116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.032116 (E_RNA)
where:
Base-Base interactions energy: -152.874
where: short stacking energy: -88.896
Base-Backbone interact. energy: -1.136
local terms energy: -124.022253
where:
bonds (distance) C4'-P energy: -28.147
bonds (distance) P-C4' energy: -28.380
flat angles C4'-P-C4' energy: -35.021
flat angles P-C4'-P energy: -14.757
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: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -239.454305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.454305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.454305 (E_RNA)
where:
Base-Base interactions energy: -130.687
where: short stacking energy: -55.629
Base-Backbone interact. energy: 0.498
local terms energy: -109.265197
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -32.478
flat angles C4'-P-C4' energy: -29.235
flat angles P-C4'-P energy: -15.348
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: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -167.424914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.424914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.424914 (E_RNA)
where:
Base-Base interactions energy: -75.262
where: short stacking energy: -47.231
Base-Backbone interact. energy: -0.201
local terms energy: -91.962723
where:
bonds (distance) C4'-P energy: -32.197
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: 2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -167.144724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.144724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.144724 (E_RNA)
where:
Base-Base interactions energy: -59.512
where: short stacking energy: -52.637
Base-Backbone interact. energy: -1.188
local terms energy: -106.444672
where:
bonds (distance) C4'-P energy: -27.626
bonds (distance) P-C4' energy: -38.787
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -17.765
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: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -149.865627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.865627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.865627 (E_RNA)
where:
Base-Base interactions energy: -54.808
where: short stacking energy: -45.679
Base-Backbone interact. energy: 1.258
local terms energy: -96.315530
where:
bonds (distance) C4'-P energy: -29.483
bonds (distance) P-C4' energy: -27.291
flat angles C4'-P-C4' energy: -28.148
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -535.462559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.462559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.462559 (E_RNA)
where:
Base-Base interactions energy: -344.403
where: short stacking energy: -170.873
Base-Backbone interact. energy: -0.057
local terms energy: -191.002289
where:
bonds (distance) C4'-P energy: -35.432
bonds (distance) P-C4' energy: -34.826
flat angles C4'-P-C4' energy: -40.022
flat angles P-C4'-P energy: -23.890
tors. eta vs tors. theta energy: -56.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -515.284012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.284012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.284012 (E_RNA)
where:
Base-Base interactions energy: -340.659
where: short stacking energy: -142.829
Base-Backbone interact. energy: 1.573
local terms energy: -176.198317
where:
bonds (distance) C4'-P energy: -42.967
bonds (distance) P-C4' energy: -31.790
flat angles C4'-P-C4' energy: -31.482
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: -43.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -476.374903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.374903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.374903 (E_RNA)
where:
Base-Base interactions energy: -313.677
where: short stacking energy: -120.570
Base-Backbone interact. energy: -0.526
local terms energy: -162.171741
where:
bonds (distance) C4'-P energy: -34.271
bonds (distance) P-C4' energy: -34.085
flat angles C4'-P-C4' energy: -33.866
flat angles P-C4'-P energy: -27.087
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: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -457.537751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.537751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.537751 (E_RNA)
where:
Base-Base interactions energy: -291.956
where: short stacking energy: -133.971
Base-Backbone interact. energy: -1.562
local terms energy: -164.019189
where:
bonds (distance) C4'-P energy: -35.707
bonds (distance) P-C4' energy: -31.111
flat angles C4'-P-C4' energy: -30.746
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -40.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -314.813655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.813655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.813655 (E_RNA)
where:
Base-Base interactions energy: -180.824
where: short stacking energy: -87.415
Base-Backbone interact. energy: -0.607
local terms energy: -133.382810
where:
bonds (distance) C4'-P energy: -32.927
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -33.660
flat angles P-C4'-P energy: -22.166
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -272.626421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.626421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.626421 (E_RNA)
where:
Base-Base interactions energy: -146.853
where: short stacking energy: -78.378
Base-Backbone interact. energy: -1.200
local terms energy: -124.573987
where:
bonds (distance) C4'-P energy: -35.377
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -22.575
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: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -210.659877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.659877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.659877 (E_RNA)
where:
Base-Base interactions energy: -86.918
where: short stacking energy: -53.495
Base-Backbone interact. energy: 0.478
local terms energy: -124.220752
where:
bonds (distance) C4'-P energy: -31.394
bonds (distance) P-C4' energy: -32.468
flat angles C4'-P-C4' energy: -35.394
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -177.571414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.571414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.571414 (E_RNA)
where:
Base-Base interactions energy: -77.130
where: short stacking energy: -53.709
Base-Backbone interact. energy: -0.709
local terms energy: -99.732221
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -18.180
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: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -166.099301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.099301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.099301 (E_RNA)
where:
Base-Base interactions energy: -65.693
where: short stacking energy: -33.602
Base-Backbone interact. energy: -0.276
local terms energy: -100.130194
where:
bonds (distance) C4'-P energy: -31.908
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -28.305
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: 3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -157.180231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.180231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.180231 (E_RNA)
where:
Base-Base interactions energy: -55.893
where: short stacking energy: -35.952
Base-Backbone interact. energy: -2.457
local terms energy: -98.830047
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -30.311
flat angles C4'-P-C4' energy: -32.080
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: 6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -537.211217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.211217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.211217 (E_RNA)
where:
Base-Base interactions energy: -335.438
where: short stacking energy: -165.234
Base-Backbone interact. energy: -0.463
local terms energy: -201.310907
where:
bonds (distance) C4'-P energy: -39.109
bonds (distance) P-C4' energy: -41.759
flat angles C4'-P-C4' energy: -37.253
flat angles P-C4'-P energy: -30.018
tors. eta vs tors. theta energy: -53.171
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: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -509.437370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.437370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.437370 (E_RNA)
where:
Base-Base interactions energy: -345.496
where: short stacking energy: -150.182
Base-Backbone interact. energy: -0.613
local terms energy: -163.328402
where:
bonds (distance) C4'-P energy: -31.514
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -29.815
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -46.216
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: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -497.082642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.082642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.082642 (E_RNA)
where:
Base-Base interactions energy: -342.444
where: short stacking energy: -139.431
Base-Backbone interact. energy: -0.698
local terms energy: -153.940194
where:
bonds (distance) C4'-P energy: -30.978
bonds (distance) P-C4' energy: -39.036
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -24.336
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: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -472.931224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.931224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.931224 (E_RNA)
where:
Base-Base interactions energy: -307.781
where: short stacking energy: -130.960
Base-Backbone interact. energy: 0.083
local terms energy: -165.233185
where:
bonds (distance) C4'-P energy: -35.433
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -37.039
flat angles P-C4'-P energy: -23.158
tors. eta vs tors. theta energy: -39.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -341.167537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.167537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.167537 (E_RNA)
where:
Base-Base interactions energy: -194.966
where: short stacking energy: -87.442
Base-Backbone interact. energy: -0.577
local terms energy: -145.624698
where:
bonds (distance) C4'-P energy: -36.873
bonds (distance) P-C4' energy: -31.621
flat angles C4'-P-C4' energy: -32.636
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: -22.106
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: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -277.814495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.814495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.814495 (E_RNA)
where:
Base-Base interactions energy: -149.252
where: short stacking energy: -75.580
Base-Backbone interact. energy: 3.038
local terms energy: -131.600616
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -34.466
flat angles P-C4'-P energy: -22.721
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -208.846132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.846132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.846132 (E_RNA)
where:
Base-Base interactions energy: -98.785
where: short stacking energy: -49.151
Base-Backbone interact. energy: 0.395
local terms energy: -110.456248
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -31.046
flat angles C4'-P-C4' energy: -35.773
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: 2.113
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: 61
Temperature: 1.250000
Total energy: -159.589113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.589113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.589113 (E_RNA)
where:
Base-Base interactions energy: -48.647
where: short stacking energy: -44.975
Base-Backbone interact. energy: -0.380
local terms energy: -110.561576
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -35.833
flat angles C4'-P-C4' energy: -30.376
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -163.826858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.826858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.826858 (E_RNA)
where:
Base-Base interactions energy: -74.353
where: short stacking energy: -40.005
Base-Backbone interact. energy: 0.719
local terms energy: -90.192815
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -29.208
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: 4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -153.028712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.028712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.028712 (E_RNA)
where:
Base-Base interactions energy: -62.998
where: short stacking energy: -39.832
Base-Backbone interact. energy: -0.424
local terms energy: -89.606087
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -34.762
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: 4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -536.763869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.763869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.763869 (E_RNA)
where:
Base-Base interactions energy: -363.504
where: short stacking energy: -144.802
Base-Backbone interact. energy: 1.609
local terms energy: -174.869546
where:
bonds (distance) C4'-P energy: -30.880
bonds (distance) P-C4' energy: -41.134
flat angles C4'-P-C4' energy: -28.381
flat angles P-C4'-P energy: -24.233
tors. eta vs tors. theta energy: -50.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -529.472892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.472892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.472892 (E_RNA)
where:
Base-Base interactions energy: -335.285
where: short stacking energy: -160.809
Base-Backbone interact. energy: -0.237
local terms energy: -193.951150
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -37.580
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -62.059
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: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -480.080747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.080747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.080747 (E_RNA)
where:
Base-Base interactions energy: -327.869
where: short stacking energy: -141.227
Base-Backbone interact. energy: -0.594
local terms energy: -151.618003
where:
bonds (distance) C4'-P energy: -26.958
bonds (distance) P-C4' energy: -29.364
flat angles C4'-P-C4' energy: -34.407
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -38.997
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: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -484.705312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.705312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.705312 (E_RNA)
where:
Base-Base interactions energy: -320.297
where: short stacking energy: -140.199
Base-Backbone interact. energy: -0.784
local terms energy: -163.624434
where:
bonds (distance) C4'-P energy: -34.513
bonds (distance) P-C4' energy: -28.522
flat angles C4'-P-C4' energy: -32.277
flat angles P-C4'-P energy: -25.090
tors. eta vs tors. theta energy: -43.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -355.377828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.377828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.377828 (E_RNA)
where:
Base-Base interactions energy: -209.038
where: short stacking energy: -108.229
Base-Backbone interact. energy: -0.097
local terms energy: -146.242728
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -39.087
flat angles C4'-P-C4' energy: -32.678
flat angles P-C4'-P energy: -22.158
tors. eta vs tors. theta energy: -22.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -303.939152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.939152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.939152 (E_RNA)
where:
Base-Base interactions energy: -170.556
where: short stacking energy: -70.463
Base-Backbone interact. energy: -0.457
local terms energy: -132.926733
where:
bonds (distance) C4'-P energy: -29.852
bonds (distance) P-C4' energy: -33.813
flat angles C4'-P-C4' energy: -33.871
flat angles P-C4'-P energy: -22.649
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -193.196558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.196558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.196558 (E_RNA)
where:
Base-Base interactions energy: -92.772
where: short stacking energy: -64.521
Base-Backbone interact. energy: -1.439
local terms energy: -98.985659
where:
bonds (distance) C4'-P energy: -34.135
bonds (distance) P-C4' energy: -33.779
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -4.963
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -171.378341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.378341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.378341 (E_RNA)
where:
Base-Base interactions energy: -63.977
where: short stacking energy: -48.496
Base-Backbone interact. energy: -0.833
local terms energy: -106.568368
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -28.525
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -25.697
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: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -166.924753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.924753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.924753 (E_RNA)
where:
Base-Base interactions energy: -56.189
where: short stacking energy: -45.902
Base-Backbone interact. energy: 3.119
local terms energy: -113.854093
where:
bonds (distance) C4'-P energy: -31.875
bonds (distance) P-C4' energy: -28.853
flat angles C4'-P-C4' energy: -27.034
flat angles P-C4'-P energy: -16.756
tors. eta vs tors. theta energy: -9.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -141.474792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.474792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.474792 (E_RNA)
where:
Base-Base interactions energy: -30.290
where: short stacking energy: -19.953
Base-Backbone interact. energy: 0.909
local terms energy: -112.093361
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -36.665
flat angles C4'-P-C4' energy: -29.863
flat angles P-C4'-P energy: -16.118
tors. eta vs tors. theta energy: 1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -536.285990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.285990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.285990 (E_RNA)
where:
Base-Base interactions energy: -365.130
where: short stacking energy: -136.457
Base-Backbone interact. energy: 1.972
local terms energy: -173.128062
where:
bonds (distance) C4'-P energy: -33.656
bonds (distance) P-C4' energy: -32.387
flat angles C4'-P-C4' energy: -36.062
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -44.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -536.687884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.687884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.687884 (E_RNA)
where:
Base-Base interactions energy: -358.349
where: short stacking energy: -157.553
Base-Backbone interact. energy: -0.094
local terms energy: -178.245026
where:
bonds (distance) C4'-P energy: -32.287
bonds (distance) P-C4' energy: -31.403
flat angles C4'-P-C4' energy: -36.997
flat angles P-C4'-P energy: -24.986
tors. eta vs tors. theta energy: -52.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -478.885968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.885968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.885968 (E_RNA)
where:
Base-Base interactions energy: -320.896
where: short stacking energy: -134.364
Base-Backbone interact. energy: 0.102
local terms energy: -158.091513
where:
bonds (distance) C4'-P energy: -35.607
bonds (distance) P-C4' energy: -31.706
flat angles C4'-P-C4' energy: -32.752
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -38.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -496.568590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.568590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.568590 (E_RNA)
where:
Base-Base interactions energy: -323.135
where: short stacking energy: -128.106
Base-Backbone interact. energy: 2.426
local terms energy: -175.860424
where:
bonds (distance) C4'-P energy: -38.648
bonds (distance) P-C4' energy: -29.599
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -24.264
tors. eta vs tors. theta energy: -45.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -354.924964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.924964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.924964 (E_RNA)
where:
Base-Base interactions energy: -221.314
where: short stacking energy: -110.967
Base-Backbone interact. energy: -0.133
local terms energy: -133.477418
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -32.758
flat angles C4'-P-C4' energy: -27.433
flat angles P-C4'-P energy: -25.871
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -343.420373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.420373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.420373 (E_RNA)
where:
Base-Base interactions energy: -207.594
where: short stacking energy: -96.584
Base-Backbone interact. energy: -0.870
local terms energy: -134.956919
where:
bonds (distance) C4'-P energy: -36.908
bonds (distance) P-C4' energy: -29.674
flat angles C4'-P-C4' energy: -33.120
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -266.879061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.879061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.879061 (E_RNA)
where:
Base-Base interactions energy: -155.648
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.239
local terms energy: -110.992859
where:
bonds (distance) C4'-P energy: -25.718
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -32.883
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -10.090
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: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -178.173058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.173058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.173058 (E_RNA)
where:
Base-Base interactions energy: -68.324
where: short stacking energy: -49.076
Base-Backbone interact. energy: -0.227
local terms energy: -109.622001
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -34.728
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -160.441408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.441408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.441408 (E_RNA)
where:
Base-Base interactions energy: -55.789
where: short stacking energy: -48.661
Base-Backbone interact. energy: 0.236
local terms energy: -104.888610
where:
bonds (distance) C4'-P energy: -35.589
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: 1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -142.543559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.543559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.543559 (E_RNA)
where:
Base-Base interactions energy: -58.496
where: short stacking energy: -34.339
Base-Backbone interact. energy: -0.085
local terms energy: -83.962330
where:
bonds (distance) C4'-P energy: -27.966
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -521.089231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.089231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.089231 (E_RNA)
where:
Base-Base interactions energy: -350.509
where: short stacking energy: -135.641
Base-Backbone interact. energy: -0.048
local terms energy: -170.531655
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -42.005
flat angles C4'-P-C4' energy: -37.705
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -42.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -542.950741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.950741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.950741 (E_RNA)
where:
Base-Base interactions energy: -349.927
where: short stacking energy: -178.077
Base-Backbone interact. energy: -0.005
local terms energy: -193.018462
where:
bonds (distance) C4'-P energy: -34.902
bonds (distance) P-C4' energy: -30.725
flat angles C4'-P-C4' energy: -37.810
flat angles P-C4'-P energy: -28.873
tors. eta vs tors. theta energy: -60.709
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: 64
Temperature: 1.000000
Total energy: -495.672097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.672097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.672097 (E_RNA)
where:
Base-Base interactions energy: -334.897
where: short stacking energy: -147.821
Base-Backbone interact. energy: 0.584
local terms energy: -161.358265
where:
bonds (distance) C4'-P energy: -22.779
bonds (distance) P-C4' energy: -32.068
flat angles C4'-P-C4' energy: -36.832
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -48.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -489.506716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.506716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.506716 (E_RNA)
where:
Base-Base interactions energy: -318.448
where: short stacking energy: -128.679
Base-Backbone interact. energy: -0.797
local terms energy: -170.262357
where:
bonds (distance) C4'-P energy: -37.732
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -36.532
flat angles P-C4'-P energy: -27.793
tors. eta vs tors. theta energy: -36.171
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: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -352.945295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.945295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.945295 (E_RNA)
where:
Base-Base interactions energy: -210.986
where: short stacking energy: -112.975
Base-Backbone interact. energy: -0.190
local terms energy: -141.769368
where:
bonds (distance) C4'-P energy: -33.286
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -27.083
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -30.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -340.946263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.946263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.946263 (E_RNA)
where:
Base-Base interactions energy: -211.223
where: short stacking energy: -85.469
Base-Backbone interact. energy: 2.341
local terms energy: -132.064590
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -31.919
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -17.026
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: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -279.386472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.386472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.386472 (E_RNA)
where:
Base-Base interactions energy: -164.122
where: short stacking energy: -83.347
Base-Backbone interact. energy: -0.570
local terms energy: -114.694217
where:
bonds (distance) C4'-P energy: -25.428
bonds (distance) P-C4' energy: -32.280
flat angles C4'-P-C4' energy: -32.212
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -196.016616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.016616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.016616 (E_RNA)
where:
Base-Base interactions energy: -83.213
where: short stacking energy: -54.389
Base-Backbone interact. energy: 1.158
local terms energy: -113.961691
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -31.461
flat angles C4'-P-C4' energy: -30.269
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -158.079116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.079116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.079116 (E_RNA)
where:
Base-Base interactions energy: -60.239
where: short stacking energy: -51.543
Base-Backbone interact. energy: 0.879
local terms energy: -98.719346
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -153.193467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.193467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.193467 (E_RNA)
where:
Base-Base interactions energy: -46.933
where: short stacking energy: -38.428
Base-Backbone interact. energy: -0.142
local terms energy: -106.118733
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -24.429
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -541.442513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.442513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.442513 (E_RNA)
where:
Base-Base interactions energy: -357.328
where: short stacking energy: -154.107
Base-Backbone interact. energy: -0.434
local terms energy: -183.680848
where:
bonds (distance) C4'-P energy: -33.830
bonds (distance) P-C4' energy: -35.822
flat angles C4'-P-C4' energy: -38.813
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -50.916
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: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -540.948414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.948414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.948414 (E_RNA)
where:
Base-Base interactions energy: -347.386
where: short stacking energy: -160.804
Base-Backbone interact. energy: -0.016
local terms energy: -193.546250
where:
bonds (distance) C4'-P energy: -31.998
bonds (distance) P-C4' energy: -37.469
flat angles C4'-P-C4' energy: -38.395
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -60.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -450.067321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.067321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.067321 (E_RNA)
where:
Base-Base interactions energy: -292.719
where: short stacking energy: -123.646
Base-Backbone interact. energy: -1.358
local terms energy: -155.990210
where:
bonds (distance) C4'-P energy: -30.508
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -40.971
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -35.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -463.776331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.776331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.776331 (E_RNA)
where:
Base-Base interactions energy: -300.809
where: short stacking energy: -126.844
Base-Backbone interact. energy: -0.218
local terms energy: -162.749084
where:
bonds (distance) C4'-P energy: -32.698
bonds (distance) P-C4' energy: -32.650
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -31.693
tors. eta vs tors. theta energy: -30.156
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: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -347.053474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.053474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.053474 (E_RNA)
where:
Base-Base interactions energy: -200.922
where: short stacking energy: -108.712
Base-Backbone interact. energy: -0.126
local terms energy: -146.005556
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -27.272
flat angles C4'-P-C4' energy: -38.185
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -26.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -367.262969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.262969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.262969 (E_RNA)
where:
Base-Base interactions energy: -224.773
where: short stacking energy: -93.250
Base-Backbone interact. energy: -0.924
local terms energy: -141.565909
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -37.052
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -211.348527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.348527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.348527 (E_RNA)
where:
Base-Base interactions energy: -107.101
where: short stacking energy: -64.406
Base-Backbone interact. energy: -0.784
local terms energy: -103.463452
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -29.971
flat angles C4'-P-C4' energy: -26.594
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -162.754412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.754412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.754412 (E_RNA)
where:
Base-Base interactions energy: -56.537
where: short stacking energy: -55.103
Base-Backbone interact. energy: -1.343
local terms energy: -104.874588
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -31.404
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -18.201
tors. eta vs tors. theta energy: -0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -159.974461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.974461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.974461 (E_RNA)
where:
Base-Base interactions energy: -48.195
where: short stacking energy: -46.382
Base-Backbone interact. energy: 0.999
local terms energy: -112.777824
where:
bonds (distance) C4'-P energy: -35.504
bonds (distance) P-C4' energy: -29.193
flat angles C4'-P-C4' energy: -24.930
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -201.201427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.201427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.201427 (E_RNA)
where:
Base-Base interactions energy: -91.026
where: short stacking energy: -42.782
Base-Backbone interact. energy: -0.310
local terms energy: -109.865618
where:
bonds (distance) C4'-P energy: -31.819
bonds (distance) P-C4' energy: -32.785
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: 1.322
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: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -563.753176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.753176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.753176 (E_RNA)
where:
Base-Base interactions energy: -364.180
where: short stacking energy: -174.091
Base-Backbone interact. energy: -0.045
local terms energy: -199.528276
where:
bonds (distance) C4'-P energy: -33.618
bonds (distance) P-C4' energy: -35.966
flat angles C4'-P-C4' energy: -41.904
flat angles P-C4'-P energy: -28.048
tors. eta vs tors. theta energy: -59.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -532.937625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.937625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.937625 (E_RNA)
where:
Base-Base interactions energy: -352.016
where: short stacking energy: -146.292
Base-Backbone interact. energy: -0.525
local terms energy: -180.396020
where:
bonds (distance) C4'-P energy: -34.908
bonds (distance) P-C4' energy: -40.189
flat angles C4'-P-C4' energy: -35.562
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -47.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -453.346058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.346058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.346058 (E_RNA)
where:
Base-Base interactions energy: -293.363
where: short stacking energy: -133.672
Base-Backbone interact. energy: -0.431
local terms energy: -159.551883
where:
bonds (distance) C4'-P energy: -31.515
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -33.062
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -39.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -458.551326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.551326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.551326 (E_RNA)
where:
Base-Base interactions energy: -298.599
where: short stacking energy: -139.433
Base-Backbone interact. energy: -0.859
local terms energy: -159.092687
where:
bonds (distance) C4'-P energy: -31.665
bonds (distance) P-C4' energy: -26.443
flat angles C4'-P-C4' energy: -35.913
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -38.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -397.010454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.010454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.010454 (E_RNA)
where:
Base-Base interactions energy: -245.656
where: short stacking energy: -116.133
Base-Backbone interact. energy: 1.605
local terms energy: -152.959739
where:
bonds (distance) C4'-P energy: -32.010
bonds (distance) P-C4' energy: -29.995
flat angles C4'-P-C4' energy: -34.627
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -35.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -343.347158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.347158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.347158 (E_RNA)
where:
Base-Base interactions energy: -199.107
where: short stacking energy: -107.095
Base-Backbone interact. energy: 0.231
local terms energy: -144.470729
where:
bonds (distance) C4'-P energy: -41.865
bonds (distance) P-C4' energy: -31.790
flat angles C4'-P-C4' energy: -33.656
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -20.970
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: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -189.092823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.092823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.092823 (E_RNA)
where:
Base-Base interactions energy: -70.272
where: short stacking energy: -65.772
Base-Backbone interact. energy: -0.046
local terms energy: -118.775333
where:
bonds (distance) C4'-P energy: -29.513
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -21.917
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -186.540393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.540393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.540393 (E_RNA)
where:
Base-Base interactions energy: -73.546
where: short stacking energy: -55.758
Base-Backbone interact. energy: -0.367
local terms energy: -112.626811
where:
bonds (distance) C4'-P energy: -32.219
bonds (distance) P-C4' energy: -28.973
flat angles C4'-P-C4' energy: -31.270
flat angles P-C4'-P energy: -20.740
tors. eta vs tors. theta energy: 0.575
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: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -174.957853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.957853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.957853 (E_RNA)
where:
Base-Base interactions energy: -61.503
where: short stacking energy: -36.158
Base-Backbone interact. energy: 1.226
local terms energy: -114.680728
where:
bonds (distance) C4'-P energy: -33.634
bonds (distance) P-C4' energy: -30.482
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -17.068
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: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -142.121198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.121198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.121198 (E_RNA)
where:
Base-Base interactions energy: -45.464
where: short stacking energy: -37.017
Base-Backbone interact. energy: -0.656
local terms energy: -96.001129
where:
bonds (distance) C4'-P energy: -31.607
bonds (distance) P-C4' energy: -33.266
flat angles C4'-P-C4' energy: -30.808
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: 4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -551.805325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.805325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.805325 (E_RNA)
where:
Base-Base interactions energy: -361.420
where: short stacking energy: -170.782
Base-Backbone interact. energy: -0.001
local terms energy: -190.383568
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -30.220
flat angles C4'-P-C4' energy: -39.872
flat angles P-C4'-P energy: -27.854
tors. eta vs tors. theta energy: -60.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -530.992004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.992004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.992004 (E_RNA)
where:
Base-Base interactions energy: -355.732
where: short stacking energy: -137.445
Base-Backbone interact. energy: -1.551
local terms energy: -173.708193
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -29.083
flat angles C4'-P-C4' energy: -41.030
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -46.998
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: 67
Temperature: 1.000000
Total energy: -472.030363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.030363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.030363 (E_RNA)
where:
Base-Base interactions energy: -298.468
where: short stacking energy: -138.890
Base-Backbone interact. energy: -0.909
local terms energy: -172.653259
where:
bonds (distance) C4'-P energy: -32.375
bonds (distance) P-C4' energy: -38.202
flat angles C4'-P-C4' energy: -37.507
flat angles P-C4'-P energy: -22.059
tors. eta vs tors. theta energy: -42.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -493.539574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.539574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.539574 (E_RNA)
where:
Base-Base interactions energy: -323.613
where: short stacking energy: -114.130
Base-Backbone interact. energy: -0.392
local terms energy: -169.534811
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -34.520
flat angles C4'-P-C4' energy: -40.141
flat angles P-C4'-P energy: -20.635
tors. eta vs tors. theta energy: -40.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -391.250158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.250158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.250158 (E_RNA)
where:
Base-Base interactions energy: -239.055
where: short stacking energy: -90.998
Base-Backbone interact. energy: -1.593
local terms energy: -150.602709
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -40.964
flat angles C4'-P-C4' energy: -27.151
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -27.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -333.797614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.797614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.797614 (E_RNA)
where:
Base-Base interactions energy: -202.372
where: short stacking energy: -84.832
Base-Backbone interact. energy: 0.095
local terms energy: -131.520078
where:
bonds (distance) C4'-P energy: -27.224
bonds (distance) P-C4' energy: -34.247
flat angles C4'-P-C4' energy: -35.256
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -22.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -179.491571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.491571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.491571 (E_RNA)
where:
Base-Base interactions energy: -72.264
where: short stacking energy: -43.929
Base-Backbone interact. energy: -0.392
local terms energy: -106.835547
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -39.399
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -188.065797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.065797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.065797 (E_RNA)
where:
Base-Base interactions energy: -78.219
where: short stacking energy: -37.573
Base-Backbone interact. energy: -1.471
local terms energy: -108.375940
where:
bonds (distance) C4'-P energy: -34.848
bonds (distance) P-C4' energy: -28.005
flat angles C4'-P-C4' energy: -24.111
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: 3.080
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: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -157.849529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.849529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.849529 (E_RNA)
where:
Base-Base interactions energy: -55.917
where: short stacking energy: -41.214
Base-Backbone interact. energy: -1.887
local terms energy: -100.046327
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -18.647
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: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -150.641866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.641866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.641866 (E_RNA)
where:
Base-Base interactions energy: -53.471
where: short stacking energy: -48.111
Base-Backbone interact. energy: -0.276
local terms energy: -96.894374
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -26.067
flat angles C4'-P-C4' energy: -32.347
flat angles P-C4'-P energy: -12.070
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: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -551.708392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.708392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.708392 (E_RNA)
where:
Base-Base interactions energy: -362.217
where: short stacking energy: -172.889
Base-Backbone interact. energy: 2.078
local terms energy: -191.569807
where:
bonds (distance) C4'-P energy: -31.862
bonds (distance) P-C4' energy: -37.011
flat angles C4'-P-C4' energy: -43.540
flat angles P-C4'-P energy: -23.847
tors. eta vs tors. theta energy: -55.309
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: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -507.565603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.565603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.565603 (E_RNA)
where:
Base-Base interactions energy: -339.326
where: short stacking energy: -141.619
Base-Backbone interact. energy: -0.283
local terms energy: -167.956349
where:
bonds (distance) C4'-P energy: -26.493
bonds (distance) P-C4' energy: -36.309
flat angles C4'-P-C4' energy: -36.583
flat angles P-C4'-P energy: -26.398
tors. eta vs tors. theta energy: -42.174
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: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -484.705868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.705868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.705868 (E_RNA)
where:
Base-Base interactions energy: -325.196
where: short stacking energy: -127.626
Base-Backbone interact. energy: 0.362
local terms energy: -159.872116
where:
bonds (distance) C4'-P energy: -35.929
bonds (distance) P-C4' energy: -31.874
flat angles C4'-P-C4' energy: -37.922
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -33.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -463.289884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.289884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.289884 (E_RNA)
where:
Base-Base interactions energy: -297.692
where: short stacking energy: -136.388
Base-Backbone interact. energy: -1.556
local terms energy: -164.042191
where:
bonds (distance) C4'-P energy: -29.309
bonds (distance) P-C4' energy: -35.612
flat angles C4'-P-C4' energy: -37.992
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -40.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -351.900697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.900697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.900697 (E_RNA)
where:
Base-Base interactions energy: -213.618
where: short stacking energy: -106.870
Base-Backbone interact. energy: -0.285
local terms energy: -137.998137
where:
bonds (distance) C4'-P energy: -33.769
bonds (distance) P-C4' energy: -30.522
flat angles C4'-P-C4' energy: -35.080
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -24.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -393.241353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.241353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.241353 (E_RNA)
where:
Base-Base interactions energy: -238.706
where: short stacking energy: -114.770
Base-Backbone interact. energy: 0.569
local terms energy: -155.105191
where:
bonds (distance) C4'-P energy: -33.696
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -35.602
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -36.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -183.121090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.121090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.121090 (E_RNA)
where:
Base-Base interactions energy: -71.581
where: short stacking energy: -37.810
Base-Backbone interact. energy: 2.744
local terms energy: -114.284418
where:
bonds (distance) C4'-P energy: -30.242
bonds (distance) P-C4' energy: -39.565
flat angles C4'-P-C4' energy: -29.434
flat angles P-C4'-P energy: -23.220
tors. eta vs tors. theta energy: 8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -214.039923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.039923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.039923 (E_RNA)
where:
Base-Base interactions energy: -94.312
where: short stacking energy: -53.770
Base-Backbone interact. energy: -0.630
local terms energy: -119.097865
where:
bonds (distance) C4'-P energy: -40.727
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -31.697
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -151.575384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.575384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.575384 (E_RNA)
where:
Base-Base interactions energy: -54.484
where: short stacking energy: -45.658
Base-Backbone interact. energy: 0.648
local terms energy: -97.739266
where:
bonds (distance) C4'-P energy: -35.726
bonds (distance) P-C4' energy: -35.450
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: 15.957
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: 68
Temperature: 1.350000
Total energy: -163.652351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.652351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.652351 (E_RNA)
where:
Base-Base interactions energy: -81.553
where: short stacking energy: -44.053
Base-Backbone interact. energy: -0.927
local terms energy: -81.172357
where:
bonds (distance) C4'-P energy: -28.390
bonds (distance) P-C4' energy: -24.238
flat angles C4'-P-C4' energy: -26.699
flat angles P-C4'-P energy: -5.804
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: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -563.229552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.229552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.229552 (E_RNA)
where:
Base-Base interactions energy: -365.849
where: short stacking energy: -179.377
Base-Backbone interact. energy: -1.543
local terms energy: -195.837102
where:
bonds (distance) C4'-P energy: -40.836
bonds (distance) P-C4' energy: -39.184
flat angles C4'-P-C4' energy: -37.769
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: -55.176
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: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -494.222453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.222453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.222453 (E_RNA)
where:
Base-Base interactions energy: -327.558
where: short stacking energy: -123.715
Base-Backbone interact. energy: -0.376
local terms energy: -166.288803
where:
bonds (distance) C4'-P energy: -34.783
bonds (distance) P-C4' energy: -36.391
flat angles C4'-P-C4' energy: -32.204
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -36.792
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: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -511.104109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.104109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.104109 (E_RNA)
where:
Base-Base interactions energy: -340.178
where: short stacking energy: -150.265
Base-Backbone interact. energy: 0.644
local terms energy: -171.570318
where:
bonds (distance) C4'-P energy: -32.420
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -38.781
flat angles P-C4'-P energy: -23.376
tors. eta vs tors. theta energy: -49.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -454.292071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.292071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.292071 (E_RNA)
where:
Base-Base interactions energy: -293.399
where: short stacking energy: -119.469
Base-Backbone interact. energy: 1.488
local terms energy: -162.381784
where:
bonds (distance) C4'-P energy: -27.467
bonds (distance) P-C4' energy: -33.815
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -22.461
tors. eta vs tors. theta energy: -44.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -362.699281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.699281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.699281 (E_RNA)
where:
Base-Base interactions energy: -221.566
where: short stacking energy: -121.117
Base-Backbone interact. energy: -0.563
local terms energy: -140.570374
where:
bonds (distance) C4'-P energy: -31.681
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: -28.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -378.889277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.889277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.889277 (E_RNA)
where:
Base-Base interactions energy: -240.863
where: short stacking energy: -109.511
Base-Backbone interact. energy: -0.258
local terms energy: -137.768155
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -31.022
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -19.628
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: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -197.674376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.674376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.674376 (E_RNA)
where:
Base-Base interactions energy: -78.574
where: short stacking energy: -65.204
Base-Backbone interact. energy: -1.070
local terms energy: -118.030602
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -191.232717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.232717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.232717 (E_RNA)
where:
Base-Base interactions energy: -76.512
where: short stacking energy: -43.394
Base-Backbone interact. energy: -0.505
local terms energy: -114.215691
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -29.971
flat angles C4'-P-C4' energy: -29.276
flat angles P-C4'-P energy: -23.011
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: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -159.074957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.074957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.074957 (E_RNA)
where:
Base-Base interactions energy: -60.731
where: short stacking energy: -48.548
Base-Backbone interact. energy: -1.279
local terms energy: -97.064567
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -28.331
flat angles C4'-P-C4' energy: -30.334
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -155.402486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.402486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.402486 (E_RNA)
where:
Base-Base interactions energy: -55.800
where: short stacking energy: -41.118
Base-Backbone interact. energy: -0.879
local terms energy: -98.723682
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -29.982
flat angles C4'-P-C4' energy: -33.613
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -2.231
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: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -549.674214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.674214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.674214 (E_RNA)
where:
Base-Base interactions energy: -361.228
where: short stacking energy: -166.871
Base-Backbone interact. energy: 0.673
local terms energy: -189.119523
where:
bonds (distance) C4'-P energy: -31.514
bonds (distance) P-C4' energy: -36.742
flat angles C4'-P-C4' energy: -37.283
flat angles P-C4'-P energy: -26.910
tors. eta vs tors. theta energy: -56.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -501.457199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.457199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.457199 (E_RNA)
where:
Base-Base interactions energy: -342.616
where: short stacking energy: -130.191
Base-Backbone interact. energy: 1.684
local terms energy: -160.525586
where:
bonds (distance) C4'-P energy: -37.522
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -32.785
flat angles P-C4'-P energy: -25.248
tors. eta vs tors. theta energy: -30.992
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: 70
Temperature: 1.000000
Total energy: -457.915638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.915638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.915638 (E_RNA)
where:
Base-Base interactions energy: -287.396
where: short stacking energy: -127.034
Base-Backbone interact. energy: -0.779
local terms energy: -169.739929
where:
bonds (distance) C4'-P energy: -34.823
bonds (distance) P-C4' energy: -35.143
flat angles C4'-P-C4' energy: -31.387
flat angles P-C4'-P energy: -27.331
tors. eta vs tors. theta energy: -41.055
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: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -484.750228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.750228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.750228 (E_RNA)
where:
Base-Base interactions energy: -319.672
where: short stacking energy: -145.187
Base-Backbone interact. energy: 1.219
local terms energy: -166.297535
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -31.173
flat angles C4'-P-C4' energy: -36.533
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -46.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -394.040624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.040624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.040624 (E_RNA)
where:
Base-Base interactions energy: -255.255
where: short stacking energy: -109.448
Base-Backbone interact. energy: -0.302
local terms energy: -138.483829
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -16.013
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: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -306.697473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.697473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.697473 (E_RNA)
where:
Base-Base interactions energy: -169.061
where: short stacking energy: -85.751
Base-Backbone interact. energy: 0.778
local terms energy: -138.415064
where:
bonds (distance) C4'-P energy: -37.172
bonds (distance) P-C4' energy: -27.017
flat angles C4'-P-C4' energy: -30.972
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: -22.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -217.077502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.077502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.077502 (E_RNA)
where:
Base-Base interactions energy: -95.255
where: short stacking energy: -57.583
Base-Backbone interact. energy: 1.629
local terms energy: -123.451537
where:
bonds (distance) C4'-P energy: -34.465
bonds (distance) P-C4' energy: -33.500
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -25.847
tors. eta vs tors. theta energy: -1.831
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: 70
Temperature: 1.250000
Total energy: -196.407172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.407172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.407172 (E_RNA)
where:
Base-Base interactions energy: -103.137
where: short stacking energy: -66.663
Base-Backbone interact. energy: 0.126
local terms energy: -93.395696
where:
bonds (distance) C4'-P energy: -27.076
bonds (distance) P-C4' energy: -32.071
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -162.475756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.475756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.475756 (E_RNA)
where:
Base-Base interactions energy: -66.721
where: short stacking energy: -50.358
Base-Backbone interact. energy: 0.108
local terms energy: -95.863359
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: 3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -149.173025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.173025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.173025 (E_RNA)
where:
Base-Base interactions energy: -45.525
where: short stacking energy: -39.611
Base-Backbone interact. energy: -0.518
local terms energy: -103.130383
where:
bonds (distance) C4'-P energy: -27.517
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -34.308
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: 3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -559.615008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.615008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.615008 (E_RNA)
where:
Base-Base interactions energy: -375.340
where: short stacking energy: -171.117
Base-Backbone interact. energy: -0.075
local terms energy: -184.200544
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -35.769
flat angles C4'-P-C4' energy: -35.736
flat angles P-C4'-P energy: -26.211
tors. eta vs tors. theta energy: -54.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -500.727852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.727852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.727852 (E_RNA)
where:
Base-Base interactions energy: -337.373
where: short stacking energy: -130.445
Base-Backbone interact. energy: -0.459
local terms energy: -162.895883
where:
bonds (distance) C4'-P energy: -29.184
bonds (distance) P-C4' energy: -32.210
flat angles C4'-P-C4' energy: -37.170
flat angles P-C4'-P energy: -24.853
tors. eta vs tors. theta energy: -39.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -456.892874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.892874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.892874 (E_RNA)
where:
Base-Base interactions energy: -309.601
where: short stacking energy: -113.531
Base-Backbone interact. energy: -0.600
local terms energy: -146.692002
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -38.229
flat angles C4'-P-C4' energy: -32.832
flat angles P-C4'-P energy: -23.680
tors. eta vs tors. theta energy: -29.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -463.062532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.062532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.062532 (E_RNA)
where:
Base-Base interactions energy: -302.853
where: short stacking energy: -132.600
Base-Backbone interact. energy: 0.485
local terms energy: -160.694257
where:
bonds (distance) C4'-P energy: -30.726
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -35.716
flat angles P-C4'-P energy: -27.608
tors. eta vs tors. theta energy: -37.840
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: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -384.989755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.989755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.989755 (E_RNA)
where:
Base-Base interactions energy: -238.865
where: short stacking energy: -115.525
Base-Backbone interact. energy: -0.738
local terms energy: -145.385917
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -29.956
flat angles P-C4'-P energy: -27.837
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: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -284.093920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.093920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.093920 (E_RNA)
where:
Base-Base interactions energy: -154.620
where: short stacking energy: -88.961
Base-Backbone interact. energy: -0.284
local terms energy: -129.190030
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -37.936
flat angles P-C4'-P energy: -24.745
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -222.243563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.243563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.243563 (E_RNA)
where:
Base-Base interactions energy: -91.069
where: short stacking energy: -66.243
Base-Backbone interact. energy: -0.977
local terms energy: -130.197947
where:
bonds (distance) C4'-P energy: -36.828
bonds (distance) P-C4' energy: -39.252
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -9.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -181.266968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.266968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.266968 (E_RNA)
where:
Base-Base interactions energy: -70.258
where: short stacking energy: -56.195
Base-Backbone interact. energy: -0.340
local terms energy: -110.668708
where:
bonds (distance) C4'-P energy: -32.699
bonds (distance) P-C4' energy: -33.731
flat angles C4'-P-C4' energy: -29.480
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -148.304605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.304605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.304605 (E_RNA)
where:
Base-Base interactions energy: -43.472
where: short stacking energy: -41.051
Base-Backbone interact. energy: 1.763
local terms energy: -106.596047
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -34.965
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -153.617522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.617522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.617522 (E_RNA)
where:
Base-Base interactions energy: -64.761
where: short stacking energy: -30.168
Base-Backbone interact. energy: -1.435
local terms energy: -87.421431
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -32.393
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: 3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -564.754082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.754082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.754082 (E_RNA)
where:
Base-Base interactions energy: -367.927
where: short stacking energy: -171.716
Base-Backbone interact. energy: 1.788
local terms energy: -198.615341
where:
bonds (distance) C4'-P energy: -36.688
bonds (distance) P-C4' energy: -31.606
flat angles C4'-P-C4' energy: -39.087
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: -56.371
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: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -499.716740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.716740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.716740 (E_RNA)
where:
Base-Base interactions energy: -321.934
where: short stacking energy: -134.733
Base-Backbone interact. energy: -0.766
local terms energy: -177.016779
where:
bonds (distance) C4'-P energy: -32.989
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -39.275
flat angles P-C4'-P energy: -24.116
tors. eta vs tors. theta energy: -42.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -499.804757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.804757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.804757 (E_RNA)
where:
Base-Base interactions energy: -337.479
where: short stacking energy: -145.174
Base-Backbone interact. energy: -0.260
local terms energy: -162.066512
where:
bonds (distance) C4'-P energy: -28.200
bonds (distance) P-C4' energy: -36.181
flat angles C4'-P-C4' energy: -37.278
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -40.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -471.306099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.306099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.306099 (E_RNA)
where:
Base-Base interactions energy: -310.912
where: short stacking energy: -113.934
Base-Backbone interact. energy: -0.828
local terms energy: -159.566335
where:
bonds (distance) C4'-P energy: -33.374
bonds (distance) P-C4' energy: -31.109
flat angles C4'-P-C4' energy: -37.979
flat angles P-C4'-P energy: -20.646
tors. eta vs tors. theta energy: -36.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -411.683264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.683264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.683264 (E_RNA)
where:
Base-Base interactions energy: -253.603
where: short stacking energy: -118.956
Base-Backbone interact. energy: -1.126
local terms energy: -156.954686
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -36.999
flat angles C4'-P-C4' energy: -37.744
flat angles P-C4'-P energy: -26.405
tors. eta vs tors. theta energy: -31.626
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: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -311.088354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.088354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.088354 (E_RNA)
where:
Base-Base interactions energy: -166.574
where: short stacking energy: -100.722
Base-Backbone interact. energy: -0.402
local terms energy: -144.112090
where:
bonds (distance) C4'-P energy: -33.624
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -38.393
flat angles P-C4'-P energy: -24.665
tors. eta vs tors. theta energy: -22.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -233.439489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.439489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.439489 (E_RNA)
where:
Base-Base interactions energy: -119.353
where: short stacking energy: -55.050
Base-Backbone interact. energy: 0.113
local terms energy: -114.199581
where:
bonds (distance) C4'-P energy: -34.310
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -176.044498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.044498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.044498 (E_RNA)
where:
Base-Base interactions energy: -64.014
where: short stacking energy: -50.855
Base-Backbone interact. energy: -0.926
local terms energy: -111.103624
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -30.955
flat angles C4'-P-C4' energy: -31.537
flat angles P-C4'-P energy: -18.427
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: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -171.545110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.545110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.545110 (E_RNA)
where:
Base-Base interactions energy: -70.775
where: short stacking energy: -51.493
Base-Backbone interact. energy: -0.286
local terms energy: -100.483787
where:
bonds (distance) C4'-P energy: -30.272
bonds (distance) P-C4' energy: -39.555
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -4.427
tors. eta vs tors. theta energy: -1.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -154.240792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.240792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.240792 (E_RNA)
where:
Base-Base interactions energy: -65.717
where: short stacking energy: -34.258
Base-Backbone interact. energy: -0.724
local terms energy: -87.799856
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -34.660
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -2.255
tors. eta vs tors. theta energy: 2.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -543.642511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.642511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.642511 (E_RNA)
where:
Base-Base interactions energy: -358.549
where: short stacking energy: -178.706
Base-Backbone interact. energy: 0.641
local terms energy: -185.734614
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -32.675
flat angles C4'-P-C4' energy: -42.227
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: -58.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -510.745263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.745263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.745263 (E_RNA)
where:
Base-Base interactions energy: -348.420
where: short stacking energy: -145.064
Base-Backbone interact. energy: -1.077
local terms energy: -161.248031
where:
bonds (distance) C4'-P energy: -27.985
bonds (distance) P-C4' energy: -32.004
flat angles C4'-P-C4' energy: -35.172
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -45.083
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: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -478.767326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.767326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.767326 (E_RNA)
where:
Base-Base interactions energy: -303.386
where: short stacking energy: -128.829
Base-Backbone interact. energy: -0.725
local terms energy: -174.655986
where:
bonds (distance) C4'-P energy: -36.201
bonds (distance) P-C4' energy: -38.615
flat angles C4'-P-C4' energy: -30.562
flat angles P-C4'-P energy: -24.689
tors. eta vs tors. theta energy: -44.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -435.238418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.238418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.238418 (E_RNA)
where:
Base-Base interactions energy: -279.691
where: short stacking energy: -126.048
Base-Backbone interact. energy: -1.241
local terms energy: -154.306241
where:
bonds (distance) C4'-P energy: -31.540
bonds (distance) P-C4' energy: -31.972
flat angles C4'-P-C4' energy: -35.354
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: -37.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -420.046470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.046470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.046470 (E_RNA)
where:
Base-Base interactions energy: -261.533
where: short stacking energy: -133.442
Base-Backbone interact. energy: -0.043
local terms energy: -158.469859
where:
bonds (distance) C4'-P energy: -35.620
bonds (distance) P-C4' energy: -32.080
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -20.933
tors. eta vs tors. theta energy: -35.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -265.172571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.172571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.172571 (E_RNA)
where:
Base-Base interactions energy: -131.990
where: short stacking energy: -72.614
Base-Backbone interact. energy: 1.118
local terms energy: -134.300018
where:
bonds (distance) C4'-P energy: -38.056
bonds (distance) P-C4' energy: -32.668
flat angles C4'-P-C4' energy: -31.587
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -187.102476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.102476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.102476 (E_RNA)
where:
Base-Base interactions energy: -66.096
where: short stacking energy: -59.777
Base-Backbone interact. energy: -0.503
local terms energy: -120.503446
where:
bonds (distance) C4'-P energy: -27.782
bonds (distance) P-C4' energy: -36.867
flat angles C4'-P-C4' energy: -29.665
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -171.767130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.767130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.767130 (E_RNA)
where:
Base-Base interactions energy: -55.699
where: short stacking energy: -49.743
Base-Backbone interact. energy: -2.413
local terms energy: -113.655463
where:
bonds (distance) C4'-P energy: -35.300
bonds (distance) P-C4' energy: -26.916
flat angles C4'-P-C4' energy: -32.553
flat angles P-C4'-P energy: -12.948
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: 73
Temperature: 1.300000
Total energy: -166.840000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.840000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.840000 (E_RNA)
where:
Base-Base interactions energy: -57.795
where: short stacking energy: -55.847
Base-Backbone interact. energy: -0.840
local terms energy: -108.204878
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -31.414
flat angles C4'-P-C4' energy: -30.496
flat angles P-C4'-P energy: -21.669
tors. eta vs tors. theta energy: 3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -146.231530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.231530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.231530 (E_RNA)
where:
Base-Base interactions energy: -53.122
where: short stacking energy: -50.273
Base-Backbone interact. energy: 1.022
local terms energy: -94.131017
where:
bonds (distance) C4'-P energy: -28.823
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -531.534861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.534861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.534861 (E_RNA)
where:
Base-Base interactions energy: -363.755
where: short stacking energy: -153.184
Base-Backbone interact. energy: -0.733
local terms energy: -167.046831
where:
bonds (distance) C4'-P energy: -34.013
bonds (distance) P-C4' energy: -31.132
flat angles C4'-P-C4' energy: -31.587
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -46.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -523.706299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.706299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.706299 (E_RNA)
where:
Base-Base interactions energy: -335.696
where: short stacking energy: -168.785
Base-Backbone interact. energy: -0.442
local terms energy: -187.567908
where:
bonds (distance) C4'-P energy: -29.573
bonds (distance) P-C4' energy: -38.986
flat angles C4'-P-C4' energy: -39.578
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: -60.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -483.348550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.348550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.348550 (E_RNA)
where:
Base-Base interactions energy: -321.092
where: short stacking energy: -126.705
Base-Backbone interact. energy: -2.262
local terms energy: -159.994175
where:
bonds (distance) C4'-P energy: -30.422
bonds (distance) P-C4' energy: -35.021
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: -35.737
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: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -447.360035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.360035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.360035 (E_RNA)
where:
Base-Base interactions energy: -285.855
where: short stacking energy: -119.430
Base-Backbone interact. energy: -1.815
local terms energy: -159.690324
where:
bonds (distance) C4'-P energy: -28.550
bonds (distance) P-C4' energy: -37.352
flat angles C4'-P-C4' energy: -34.952
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -30.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -394.978739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.978739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.978739 (E_RNA)
where:
Base-Base interactions energy: -249.957
where: short stacking energy: -112.209
Base-Backbone interact. energy: 2.038
local terms energy: -147.060040
where:
bonds (distance) C4'-P energy: -27.724
bonds (distance) P-C4' energy: -30.563
flat angles C4'-P-C4' energy: -28.118
flat angles P-C4'-P energy: -25.609
tors. eta vs tors. theta energy: -35.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -312.930161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.930161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.930161 (E_RNA)
where:
Base-Base interactions energy: -190.658
where: short stacking energy: -81.661
Base-Backbone interact. energy: -0.503
local terms energy: -121.769533
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -34.956
flat angles C4'-P-C4' energy: -27.003
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -15.919
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: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -180.732072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.732072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.732072 (E_RNA)
where:
Base-Base interactions energy: -85.956
where: short stacking energy: -71.766
Base-Backbone interact. energy: -0.013
local terms energy: -94.763193
where:
bonds (distance) C4'-P energy: -27.048
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -170.956974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.956974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.956974 (E_RNA)
where:
Base-Base interactions energy: -59.933
where: short stacking energy: -37.126
Base-Backbone interact. energy: 2.769
local terms energy: -113.792648
where:
bonds (distance) C4'-P energy: -31.727
bonds (distance) P-C4' energy: -36.418
flat angles C4'-P-C4' energy: -25.282
flat angles P-C4'-P energy: -25.472
tors. eta vs tors. theta energy: 5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -160.974686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.974686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.974686 (E_RNA)
where:
Base-Base interactions energy: -59.855
where: short stacking energy: -42.881
Base-Backbone interact. energy: 0.828
local terms energy: -101.947793
where:
bonds (distance) C4'-P energy: -34.766
bonds (distance) P-C4' energy: -31.353
flat angles C4'-P-C4' energy: -30.257
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: 6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -156.530542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.530542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.530542 (E_RNA)
where:
Base-Base interactions energy: -42.492
where: short stacking energy: -33.286
Base-Backbone interact. energy: -0.350
local terms energy: -113.689126
where:
bonds (distance) C4'-P energy: -32.854
bonds (distance) P-C4' energy: -37.041
flat angles C4'-P-C4' energy: -30.341
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: 6.894
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: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -518.853772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.853772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.853772 (E_RNA)
where:
Base-Base interactions energy: -355.184
where: short stacking energy: -124.764
Base-Backbone interact. energy: -0.954
local terms energy: -162.715305
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -37.489
flat angles C4'-P-C4' energy: -34.896
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -40.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -516.267847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.267847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.267847 (E_RNA)
where:
Base-Base interactions energy: -355.810
where: short stacking energy: -151.474
Base-Backbone interact. energy: -0.881
local terms energy: -159.575991
where:
bonds (distance) C4'-P energy: -31.263
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: -49.511
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: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -526.412083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.412083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.412083 (E_RNA)
where:
Base-Base interactions energy: -348.703
where: short stacking energy: -162.229
Base-Backbone interact. energy: -0.148
local terms energy: -177.561138
where:
bonds (distance) C4'-P energy: -31.006
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -41.535
flat angles P-C4'-P energy: -22.700
tors. eta vs tors. theta energy: -55.738
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: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -458.033883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.033883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.033883 (E_RNA)
where:
Base-Base interactions energy: -313.524
where: short stacking energy: -114.740
Base-Backbone interact. energy: -1.007
local terms energy: -143.502727
where:
bonds (distance) C4'-P energy: -30.957
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -34.742
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -28.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -394.496106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.496106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.496106 (E_RNA)
where:
Base-Base interactions energy: -244.759
where: short stacking energy: -107.382
Base-Backbone interact. energy: -0.035
local terms energy: -149.702032
where:
bonds (distance) C4'-P energy: -32.905
bonds (distance) P-C4' energy: -32.644
flat angles C4'-P-C4' energy: -37.733
flat angles P-C4'-P energy: -17.292
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: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -312.871981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.871981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.871981 (E_RNA)
where:
Base-Base interactions energy: -179.594
where: short stacking energy: -88.918
Base-Backbone interact. energy: 0.778
local terms energy: -134.055595
where:
bonds (distance) C4'-P energy: -36.618
bonds (distance) P-C4' energy: -34.159
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -185.119416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.119416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.119416 (E_RNA)
where:
Base-Base interactions energy: -52.655
where: short stacking energy: -40.030
Base-Backbone interact. energy: -0.055
local terms energy: -132.409410
where:
bonds (distance) C4'-P energy: -30.637
bonds (distance) P-C4' energy: -38.662
flat angles C4'-P-C4' energy: -35.407
flat angles P-C4'-P energy: -23.336
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -206.956010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.956010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.956010 (E_RNA)
where:
Base-Base interactions energy: -87.978
where: short stacking energy: -52.763
Base-Backbone interact. energy: -0.347
local terms energy: -118.630629
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -32.604
flat angles C4'-P-C4' energy: -25.444
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -3.797
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: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -154.569549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.569549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.569549 (E_RNA)
where:
Base-Base interactions energy: -46.380
where: short stacking energy: -29.521
Base-Backbone interact. energy: -0.935
local terms energy: -107.254057
where:
bonds (distance) C4'-P energy: -28.054
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: 0.315
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: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -159.021705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.021705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.021705 (E_RNA)
where:
Base-Base interactions energy: -65.772
where: short stacking energy: -49.877
Base-Backbone interact. energy: -0.032
local terms energy: -93.217839
where:
bonds (distance) C4'-P energy: -28.517
bonds (distance) P-C4' energy: -25.590
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -530.980690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.980690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.980690 (E_RNA)
where:
Base-Base interactions energy: -375.318
where: short stacking energy: -145.438
Base-Backbone interact. energy: 5.732
local terms energy: -161.394661
where:
bonds (distance) C4'-P energy: -37.598
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -33.989
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -44.076
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: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -520.710779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.710779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.710779 (E_RNA)
where:
Base-Base interactions energy: -351.663
where: short stacking energy: -154.809
Base-Backbone interact. energy: -0.658
local terms energy: -168.390230
where:
bonds (distance) C4'-P energy: -34.389
bonds (distance) P-C4' energy: -27.957
flat angles C4'-P-C4' energy: -38.877
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -46.742
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: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -512.704776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.704776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.704776 (E_RNA)
where:
Base-Base interactions energy: -321.955
where: short stacking energy: -168.343
Base-Backbone interact. energy: -0.130
local terms energy: -190.619451
where:
bonds (distance) C4'-P energy: -35.704
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -43.969
flat angles P-C4'-P energy: -30.082
tors. eta vs tors. theta energy: -53.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -458.851834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.851834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.851834 (E_RNA)
where:
Base-Base interactions energy: -296.196
where: short stacking energy: -127.064
Base-Backbone interact. energy: -0.492
local terms energy: -162.163011
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -35.126
flat angles P-C4'-P energy: -24.366
tors. eta vs tors. theta energy: -36.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -390.758976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.758976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.758976 (E_RNA)
where:
Base-Base interactions energy: -244.099
where: short stacking energy: -117.621
Base-Backbone interact. energy: -0.214
local terms energy: -146.446098
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -31.807
flat angles C4'-P-C4' energy: -33.919
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: -32.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -319.248550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.248550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.248550 (E_RNA)
where:
Base-Base interactions energy: -180.424
where: short stacking energy: -100.742
Base-Backbone interact. energy: -0.609
local terms energy: -138.215632
where:
bonds (distance) C4'-P energy: -27.617
bonds (distance) P-C4' energy: -33.502
flat angles C4'-P-C4' energy: -33.615
flat angles P-C4'-P energy: -22.440
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: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -172.730544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.730544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.730544 (E_RNA)
where:
Base-Base interactions energy: -69.633
where: short stacking energy: -54.374
Base-Backbone interact. energy: 1.363
local terms energy: -104.460854
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -34.507
flat angles C4'-P-C4' energy: -31.646
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: 0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -188.562231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.562231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.562231 (E_RNA)
where:
Base-Base interactions energy: -77.123
where: short stacking energy: -60.823
Base-Backbone interact. energy: -0.629
local terms energy: -110.809581
where:
bonds (distance) C4'-P energy: -29.246
bonds (distance) P-C4' energy: -27.518
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -4.123
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: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -165.499492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.499492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.499492 (E_RNA)
where:
Base-Base interactions energy: -63.331
where: short stacking energy: -58.543
Base-Backbone interact. energy: 0.540
local terms energy: -102.709315
where:
bonds (distance) C4'-P energy: -28.478
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -30.722
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -152.097538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.097538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.097538 (E_RNA)
where:
Base-Base interactions energy: -50.007
where: short stacking energy: -36.847
Base-Backbone interact. energy: -0.836
local terms energy: -101.254775
where:
bonds (distance) C4'-P energy: -24.674
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -32.200
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: 2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -530.707990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.707990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.707990 (E_RNA)
where:
Base-Base interactions energy: -367.759
where: short stacking energy: -147.112
Base-Backbone interact. energy: -0.391
local terms energy: -162.558151
where:
bonds (distance) C4'-P energy: -34.901
bonds (distance) P-C4' energy: -36.426
flat angles C4'-P-C4' energy: -30.020
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -44.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -522.020351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.020351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.020351 (E_RNA)
where:
Base-Base interactions energy: -349.965
where: short stacking energy: -127.587
Base-Backbone interact. energy: -0.360
local terms energy: -171.695072
where:
bonds (distance) C4'-P energy: -34.725
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -32.629
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: -47.890
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: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -525.816537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.816537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.816537 (E_RNA)
where:
Base-Base interactions energy: -328.457
where: short stacking energy: -167.940
Base-Backbone interact. energy: -0.325
local terms energy: -197.034533
where:
bonds (distance) C4'-P energy: -38.011
bonds (distance) P-C4' energy: -36.613
flat angles C4'-P-C4' energy: -41.627
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -57.908
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: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -412.648227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.648227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.648227 (E_RNA)
where:
Base-Base interactions energy: -270.702
where: short stacking energy: -114.124
Base-Backbone interact. energy: -1.113
local terms energy: -140.833374
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -31.100
flat angles C4'-P-C4' energy: -36.306
flat angles P-C4'-P energy: -24.033
tors. eta vs tors. theta energy: -29.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -408.487795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.487795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.487795 (E_RNA)
where:
Base-Base interactions energy: -263.987
where: short stacking energy: -123.757
Base-Backbone interact. energy: -0.260
local terms energy: -144.240659
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -36.234
flat angles C4'-P-C4' energy: -35.580
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -35.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -274.032839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.032839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.032839 (E_RNA)
where:
Base-Base interactions energy: -135.494
where: short stacking energy: -73.291
Base-Backbone interact. energy: -0.694
local terms energy: -137.844962
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -37.359
flat angles C4'-P-C4' energy: -36.563
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -185.623593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.623593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.623593 (E_RNA)
where:
Base-Base interactions energy: -72.086
where: short stacking energy: -68.376
Base-Backbone interact. energy: -0.187
local terms energy: -113.349831
where:
bonds (distance) C4'-P energy: -31.941
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -28.603
flat angles P-C4'-P energy: -19.998
tors. eta vs tors. theta energy: -9.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -165.531235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.531235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.531235 (E_RNA)
where:
Base-Base interactions energy: -57.769
where: short stacking energy: -46.295
Base-Backbone interact. energy: -0.686
local terms energy: -107.076517
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -34.716
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: -0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -177.563410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.563410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.563410 (E_RNA)
where:
Base-Base interactions energy: -93.719
where: short stacking energy: -34.259
Base-Backbone interact. energy: -0.123
local terms energy: -83.721143
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -30.228
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: 7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -147.477201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.477201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.477201 (E_RNA)
where:
Base-Base interactions energy: -50.464
where: short stacking energy: -35.482
Base-Backbone interact. energy: 1.368
local terms energy: -98.381885
where:
bonds (distance) C4'-P energy: -29.929
bonds (distance) P-C4' energy: -36.892
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -12.828
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: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -546.314705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.314705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.314705 (E_RNA)
where:
Base-Base interactions energy: -380.431
where: short stacking energy: -149.580
Base-Backbone interact. energy: -0.416
local terms energy: -165.468373
where:
bonds (distance) C4'-P energy: -32.736
bonds (distance) P-C4' energy: -36.562
flat angles C4'-P-C4' energy: -37.743
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -47.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -512.651435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.651435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.651435 (E_RNA)
where:
Base-Base interactions energy: -348.031
where: short stacking energy: -149.233
Base-Backbone interact. energy: 0.030
local terms energy: -164.650547
where:
bonds (distance) C4'-P energy: -37.488
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -35.994
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -49.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -499.080807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.080807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.080807 (E_RNA)
where:
Base-Base interactions energy: -313.541
where: short stacking energy: -151.723
Base-Backbone interact. energy: -0.008
local terms energy: -185.531908
where:
bonds (distance) C4'-P energy: -31.135
bonds (distance) P-C4' energy: -40.999
flat angles C4'-P-C4' energy: -40.048
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -54.243
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: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -459.116569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.116569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.116569 (E_RNA)
where:
Base-Base interactions energy: -289.488
where: short stacking energy: -130.313
Base-Backbone interact. energy: -0.800
local terms energy: -168.828365
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -42.185
flat angles C4'-P-C4' energy: -41.888
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -37.315
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: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -396.982027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.982027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.982027 (E_RNA)
where:
Base-Base interactions energy: -253.745
where: short stacking energy: -122.501
Base-Backbone interact. energy: -0.732
local terms energy: -142.505054
where:
bonds (distance) C4'-P energy: -34.117
bonds (distance) P-C4' energy: -27.103
flat angles C4'-P-C4' energy: -29.624
flat angles P-C4'-P energy: -21.109
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: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -276.456453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.456453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.456453 (E_RNA)
where:
Base-Base interactions energy: -149.917
where: short stacking energy: -93.404
Base-Backbone interact. energy: -0.175
local terms energy: -126.364947
where:
bonds (distance) C4'-P energy: -35.177
bonds (distance) P-C4' energy: -29.230
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -207.505103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.505103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.505103 (E_RNA)
where:
Base-Base interactions energy: -102.301
where: short stacking energy: -58.708
Base-Backbone interact. energy: 3.557
local terms energy: -108.760725
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -24.698
flat angles P-C4'-P energy: -16.664
tors. eta vs tors. theta energy: -11.122
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: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -167.938257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.938257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.938257 (E_RNA)
where:
Base-Base interactions energy: -66.724
where: short stacking energy: -55.403
Base-Backbone interact. energy: 1.655
local terms energy: -102.869611
where:
bonds (distance) C4'-P energy: -30.103
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -22.702
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: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -164.444431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.444431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.444431 (E_RNA)
where:
Base-Base interactions energy: -52.177
where: short stacking energy: -44.161
Base-Backbone interact. energy: -1.830
local terms energy: -110.437739
where:
bonds (distance) C4'-P energy: -29.660
bonds (distance) P-C4' energy: -35.303
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -164.698021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.698021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.698021 (E_RNA)
where:
Base-Base interactions energy: -86.923
where: short stacking energy: -49.040
Base-Backbone interact. energy: -0.471
local terms energy: -77.303557
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -0.933
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -532.303630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.303630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.303630 (E_RNA)
where:
Base-Base interactions energy: -352.231
where: short stacking energy: -147.553
Base-Backbone interact. energy: -1.165
local terms energy: -178.907406
where:
bonds (distance) C4'-P energy: -33.527
bonds (distance) P-C4' energy: -38.860
flat angles C4'-P-C4' energy: -36.368
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -51.791
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: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -517.639132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.639132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.639132 (E_RNA)
where:
Base-Base interactions energy: -351.840
where: short stacking energy: -144.062
Base-Backbone interact. energy: -1.458
local terms energy: -164.341224
where:
bonds (distance) C4'-P energy: -38.200
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -29.986
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -46.850
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: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -505.428958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.428958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.428958 (E_RNA)
where:
Base-Base interactions energy: -314.276
where: short stacking energy: -153.949
Base-Backbone interact. energy: -0.585
local terms energy: -190.567530
where:
bonds (distance) C4'-P energy: -34.808
bonds (distance) P-C4' energy: -37.445
flat angles C4'-P-C4' energy: -38.069
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: -55.469
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: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -428.001742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.001742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.001742 (E_RNA)
where:
Base-Base interactions energy: -263.413
where: short stacking energy: -112.007
Base-Backbone interact. energy: -0.350
local terms energy: -164.238385
where:
bonds (distance) C4'-P energy: -30.924
bonds (distance) P-C4' energy: -33.988
flat angles C4'-P-C4' energy: -37.690
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -37.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -439.754477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.754477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.754477 (E_RNA)
where:
Base-Base interactions energy: -293.359
where: short stacking energy: -127.336
Base-Backbone interact. energy: -0.736
local terms energy: -145.659093
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -35.139
flat angles C4'-P-C4' energy: -32.581
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -33.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -286.693253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.693253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.693253 (E_RNA)
where:
Base-Base interactions energy: -143.885
where: short stacking energy: -82.844
Base-Backbone interact. energy: -0.514
local terms energy: -142.294438
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -32.616
flat angles C4'-P-C4' energy: -33.438
flat angles P-C4'-P energy: -20.076
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: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -176.433702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.433702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.433702 (E_RNA)
where:
Base-Base interactions energy: -51.453
where: short stacking energy: -44.422
Base-Backbone interact. energy: -0.482
local terms energy: -124.498785
where:
bonds (distance) C4'-P energy: -38.198
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -24.022
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -165.742409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.742409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.742409 (E_RNA)
where:
Base-Base interactions energy: -68.365
where: short stacking energy: -56.821
Base-Backbone interact. energy: 1.243
local terms energy: -98.620676
where:
bonds (distance) C4'-P energy: -33.481
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -24.997
flat angles P-C4'-P energy: -13.689
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: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -173.568690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.568690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.568690 (E_RNA)
where:
Base-Base interactions energy: -78.808
where: short stacking energy: -45.135
Base-Backbone interact. energy: 4.096
local terms energy: -98.857267
where:
bonds (distance) C4'-P energy: -26.590
bonds (distance) P-C4' energy: -35.398
flat angles C4'-P-C4' energy: -24.429
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -138.920390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.920390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.920390 (E_RNA)
where:
Base-Base interactions energy: -52.486
where: short stacking energy: -37.764
Base-Backbone interact. energy: 3.607
local terms energy: -90.040676
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -11.088
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: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -545.006770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.006770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.006770 (E_RNA)
where:
Base-Base interactions energy: -365.167
where: short stacking energy: -148.845
Base-Backbone interact. energy: -0.178
local terms energy: -179.661273
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -32.995
flat angles C4'-P-C4' energy: -37.698
flat angles P-C4'-P energy: -24.093
tors. eta vs tors. theta energy: -53.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -517.341593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.341593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.341593 (E_RNA)
where:
Base-Base interactions energy: -346.758
where: short stacking energy: -132.797
Base-Backbone interact. energy: -1.112
local terms energy: -169.471539
where:
bonds (distance) C4'-P energy: -34.546
bonds (distance) P-C4' energy: -39.643
flat angles C4'-P-C4' energy: -35.009
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -39.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -503.460943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.460943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.460943 (E_RNA)
where:
Base-Base interactions energy: -318.894
where: short stacking energy: -154.472
Base-Backbone interact. energy: -0.153
local terms energy: -184.413019
where:
bonds (distance) C4'-P energy: -34.137
bonds (distance) P-C4' energy: -33.814
flat angles C4'-P-C4' energy: -32.799
flat angles P-C4'-P energy: -28.588
tors. eta vs tors. theta energy: -55.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -441.097557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.097557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.097557 (E_RNA)
where:
Base-Base interactions energy: -271.933
where: short stacking energy: -137.138
Base-Backbone interact. energy: -0.167
local terms energy: -168.997273
where:
bonds (distance) C4'-P energy: -28.544
bonds (distance) P-C4' energy: -31.922
flat angles C4'-P-C4' energy: -35.351
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: -47.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -429.757276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.757276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.757276 (E_RNA)
where:
Base-Base interactions energy: -265.455
where: short stacking energy: -114.166
Base-Backbone interact. energy: -0.821
local terms energy: -163.481544
where:
bonds (distance) C4'-P energy: -32.741
bonds (distance) P-C4' energy: -29.435
flat angles C4'-P-C4' energy: -39.397
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -38.440
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: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -302.954406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.954406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.954406 (E_RNA)
where:
Base-Base interactions energy: -177.068
where: short stacking energy: -79.138
Base-Backbone interact. energy: -0.369
local terms energy: -125.517429
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -34.376
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -23.597
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -204.566261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.566261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.566261 (E_RNA)
where:
Base-Base interactions energy: -88.515
where: short stacking energy: -57.889
Base-Backbone interact. energy: -0.473
local terms energy: -115.578107
where:
bonds (distance) C4'-P energy: -26.178
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -24.452
tors. eta vs tors. theta energy: -9.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -177.693048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.693048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.693048 (E_RNA)
where:
Base-Base interactions energy: -79.468
where: short stacking energy: -60.299
Base-Backbone interact. energy: -0.512
local terms energy: -97.712785
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -31.776
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -163.262991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.262991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.262991 (E_RNA)
where:
Base-Base interactions energy: -66.702
where: short stacking energy: -39.904
Base-Backbone interact. energy: -0.601
local terms energy: -95.959740
where:
bonds (distance) C4'-P energy: -31.485
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -143.770766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.770766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.770766 (E_RNA)
where:
Base-Base interactions energy: -41.398
where: short stacking energy: -33.446
Base-Backbone interact. energy: 1.407
local terms energy: -103.779798
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -32.521
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -18.725
tors. eta vs tors. theta energy: 3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -552.317893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.317893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.317893 (E_RNA)
where:
Base-Base interactions energy: -374.887
where: short stacking energy: -155.343
Base-Backbone interact. energy: -1.333
local terms energy: -176.097948
where:
bonds (distance) C4'-P energy: -27.610
bonds (distance) P-C4' energy: -35.414
flat angles C4'-P-C4' energy: -37.088
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: -49.316
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: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -523.981399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.981399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.981399 (E_RNA)
where:
Base-Base interactions energy: -333.929
where: short stacking energy: -171.377
Base-Backbone interact. energy: -0.320
local terms energy: -189.733095
where:
bonds (distance) C4'-P energy: -35.160
bonds (distance) P-C4' energy: -36.511
flat angles C4'-P-C4' energy: -40.059
flat angles P-C4'-P energy: -25.047
tors. eta vs tors. theta energy: -52.956
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: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -491.279843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.279843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.279843 (E_RNA)
where:
Base-Base interactions energy: -321.780
where: short stacking energy: -130.070
Base-Backbone interact. energy: -0.468
local terms energy: -169.032206
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -36.290
flat angles C4'-P-C4' energy: -30.093
flat angles P-C4'-P energy: -28.392
tors. eta vs tors. theta energy: -45.184
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: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -438.706180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.706180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.706180 (E_RNA)
where:
Base-Base interactions energy: -273.677
where: short stacking energy: -119.724
Base-Backbone interact. energy: -0.149
local terms energy: -164.879960
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -35.900
flat angles C4'-P-C4' energy: -38.316
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -39.640
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: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -401.639926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.639926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.639926 (E_RNA)
where:
Base-Base interactions energy: -238.621
where: short stacking energy: -112.353
Base-Backbone interact. energy: 0.038
local terms energy: -163.056520
where:
bonds (distance) C4'-P energy: -32.776
bonds (distance) P-C4' energy: -36.731
flat angles C4'-P-C4' energy: -38.441
flat angles P-C4'-P energy: -22.829
tors. eta vs tors. theta energy: -32.279
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: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -309.125058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.125058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.125058 (E_RNA)
where:
Base-Base interactions energy: -182.976
where: short stacking energy: -91.709
Base-Backbone interact. energy: 0.752
local terms energy: -126.901162
where:
bonds (distance) C4'-P energy: -26.651
bonds (distance) P-C4' energy: -33.928
flat angles C4'-P-C4' energy: -29.018
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: -13.747
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: 81
Temperature: 1.200000
Total energy: -178.497078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.497078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.497078 (E_RNA)
where:
Base-Base interactions energy: -68.099
where: short stacking energy: -52.582
Base-Backbone interact. energy: -0.944
local terms energy: -109.453876
where:
bonds (distance) C4'-P energy: -24.271
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -27.284
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: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -177.458210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.458210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.458210 (E_RNA)
where:
Base-Base interactions energy: -66.956
where: short stacking energy: -56.632
Base-Backbone interact. energy: -0.157
local terms energy: -110.344741
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -36.226
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -156.018660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.018660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.018660 (E_RNA)
where:
Base-Base interactions energy: -41.971
where: short stacking energy: -26.259
Base-Backbone interact. energy: -1.586
local terms energy: -112.461500
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -28.672
flat angles C4'-P-C4' energy: -37.036
flat angles P-C4'-P energy: -25.434
tors. eta vs tors. theta energy: 7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -160.166291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.166291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.166291 (E_RNA)
where:
Base-Base interactions energy: -50.898
where: short stacking energy: -35.379
Base-Backbone interact. energy: -0.016
local terms energy: -109.251746
where:
bonds (distance) C4'-P energy: -31.618
bonds (distance) P-C4' energy: -31.598
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -552.306976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.306976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.306976 (E_RNA)
where:
Base-Base interactions energy: -378.993
where: short stacking energy: -155.797
Base-Backbone interact. energy: 3.019
local terms energy: -176.333522
where:
bonds (distance) C4'-P energy: -28.684
bonds (distance) P-C4' energy: -36.591
flat angles C4'-P-C4' energy: -38.792
flat angles P-C4'-P energy: -26.438
tors. eta vs tors. theta energy: -45.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -531.250010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.250010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.250010 (E_RNA)
where:
Base-Base interactions energy: -337.716
where: short stacking energy: -168.690
Base-Backbone interact. energy: -0.820
local terms energy: -192.714010
where:
bonds (distance) C4'-P energy: -35.424
bonds (distance) P-C4' energy: -32.926
flat angles C4'-P-C4' energy: -39.895
flat angles P-C4'-P energy: -26.562
tors. eta vs tors. theta energy: -57.907
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: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -496.211847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.211847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.211847 (E_RNA)
where:
Base-Base interactions energy: -339.268
where: short stacking energy: -134.317
Base-Backbone interact. energy: -0.283
local terms energy: -156.660489
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -37.419
flat angles C4'-P-C4' energy: -34.200
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -40.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -437.889302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.889302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.889302 (E_RNA)
where:
Base-Base interactions energy: -273.038
where: short stacking energy: -119.326
Base-Backbone interact. energy: -0.149
local terms energy: -164.702387
where:
bonds (distance) C4'-P energy: -38.693
bonds (distance) P-C4' energy: -35.400
flat angles C4'-P-C4' energy: -35.800
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -35.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -422.135492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.135492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.135492 (E_RNA)
where:
Base-Base interactions energy: -284.253
where: short stacking energy: -112.277
Base-Backbone interact. energy: -0.361
local terms energy: -137.521553
where:
bonds (distance) C4'-P energy: -22.397
bonds (distance) P-C4' energy: -34.146
flat angles C4'-P-C4' energy: -27.474
flat angles P-C4'-P energy: -23.711
tors. eta vs tors. theta energy: -29.794
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: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -301.974652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.974652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.974652 (E_RNA)
where:
Base-Base interactions energy: -163.077
where: short stacking energy: -83.127
Base-Backbone interact. energy: 1.065
local terms energy: -139.962917
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -36.305
flat angles C4'-P-C4' energy: -33.230
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -188.728447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.728447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.728447 (E_RNA)
where:
Base-Base interactions energy: -63.580
where: short stacking energy: -53.593
Base-Backbone interact. energy: -0.251
local terms energy: -124.896941
where:
bonds (distance) C4'-P energy: -41.517
bonds (distance) P-C4' energy: -30.546
flat angles C4'-P-C4' energy: -29.868
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -172.042483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.042483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.042483 (E_RNA)
where:
Base-Base interactions energy: -65.306
where: short stacking energy: -65.306
Base-Backbone interact. energy: 0.495
local terms energy: -107.231207
where:
bonds (distance) C4'-P energy: -27.949
bonds (distance) P-C4' energy: -36.704
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -153.421613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.421613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.421613 (E_RNA)
where:
Base-Base interactions energy: -52.810
where: short stacking energy: -50.406
Base-Backbone interact. energy: -0.397
local terms energy: -100.213739
where:
bonds (distance) C4'-P energy: -25.358
bonds (distance) P-C4' energy: -26.730
flat angles C4'-P-C4' energy: -29.704
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -159.294552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.294552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.294552 (E_RNA)
where:
Base-Base interactions energy: -54.990
where: short stacking energy: -44.906
Base-Backbone interact. energy: 1.036
local terms energy: -105.340335
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -38.178
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -557.567840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.567840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.567840 (E_RNA)
where:
Base-Base interactions energy: -378.680
where: short stacking energy: -152.913
Base-Backbone interact. energy: 1.518
local terms energy: -180.406169
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -34.522
flat angles C4'-P-C4' energy: -39.569
flat angles P-C4'-P energy: -26.867
tors. eta vs tors. theta energy: -50.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -543.103763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.103763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.103763 (E_RNA)
where:
Base-Base interactions energy: -346.567
where: short stacking energy: -174.507
Base-Backbone interact. energy: -0.533
local terms energy: -196.003340
where:
bonds (distance) C4'-P energy: -34.848
bonds (distance) P-C4' energy: -30.927
flat angles C4'-P-C4' energy: -40.613
flat angles P-C4'-P energy: -28.078
tors. eta vs tors. theta energy: -61.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -497.901462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.901462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.901462 (E_RNA)
where:
Base-Base interactions energy: -339.487
where: short stacking energy: -142.577
Base-Backbone interact. energy: 0.574
local terms energy: -158.989017
where:
bonds (distance) C4'-P energy: -32.638
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -36.490
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -41.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -438.276855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.276855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.276855 (E_RNA)
where:
Base-Base interactions energy: -264.820
where: short stacking energy: -119.815
Base-Backbone interact. energy: -1.226
local terms energy: -172.230813
where:
bonds (distance) C4'-P energy: -35.673
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -37.137
flat angles P-C4'-P energy: -24.363
tors. eta vs tors. theta energy: -40.505
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: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -423.959821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.959821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.959821 (E_RNA)
where:
Base-Base interactions energy: -266.829
where: short stacking energy: -95.700
Base-Backbone interact. energy: -1.295
local terms energy: -155.835856
where:
bonds (distance) C4'-P energy: -33.212
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -28.151
flat angles P-C4'-P energy: -26.517
tors. eta vs tors. theta energy: -28.687
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: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -304.691096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.691096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.691096 (E_RNA)
where:
Base-Base interactions energy: -171.745
where: short stacking energy: -74.103
Base-Backbone interact. energy: -0.117
local terms energy: -132.829202
where:
bonds (distance) C4'-P energy: -33.597
bonds (distance) P-C4' energy: -33.201
flat angles C4'-P-C4' energy: -27.177
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -22.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -211.764325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.764325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.764325 (E_RNA)
where:
Base-Base interactions energy: -87.041
where: short stacking energy: -47.318
Base-Backbone interact. energy: -1.202
local terms energy: -123.521438
where:
bonds (distance) C4'-P energy: -34.776
bonds (distance) P-C4' energy: -36.143
flat angles C4'-P-C4' energy: -25.851
flat angles P-C4'-P energy: -24.771
tors. eta vs tors. theta energy: -1.980
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: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -160.902871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.902871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.902871 (E_RNA)
where:
Base-Base interactions energy: -47.440
where: short stacking energy: -38.779
Base-Backbone interact. energy: 0.593
local terms energy: -114.055892
where:
bonds (distance) C4'-P energy: -38.376
bonds (distance) P-C4' energy: -33.072
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -23.239
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -164.121901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.121901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.121901 (E_RNA)
where:
Base-Base interactions energy: -65.867
where: short stacking energy: -49.764
Base-Backbone interact. energy: -0.360
local terms energy: -97.894872
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -28.889
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -20.768
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -151.505480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.505480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.505480 (E_RNA)
where:
Base-Base interactions energy: -44.916
where: short stacking energy: -31.807
Base-Backbone interact. energy: -0.554
local terms energy: -106.035238
where:
bonds (distance) C4'-P energy: -33.957
bonds (distance) P-C4' energy: -30.998
flat angles C4'-P-C4' energy: -24.778
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: 3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -542.399363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.399363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.399363 (E_RNA)
where:
Base-Base interactions energy: -355.869
where: short stacking energy: -166.119
Base-Backbone interact. energy: 0.292
local terms energy: -186.822248
where:
bonds (distance) C4'-P energy: -34.642
bonds (distance) P-C4' energy: -33.886
flat angles C4'-P-C4' energy: -40.303
flat angles P-C4'-P energy: -24.469
tors. eta vs tors. theta energy: -53.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -548.939153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.939153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.939153 (E_RNA)
where:
Base-Base interactions energy: -384.740
where: short stacking energy: -161.262
Base-Backbone interact. energy: 3.442
local terms energy: -167.641047
where:
bonds (distance) C4'-P energy: -28.952
bonds (distance) P-C4' energy: -33.966
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -49.529
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: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -486.136326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.136326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.136326 (E_RNA)
where:
Base-Base interactions energy: -338.758
where: short stacking energy: -132.152
Base-Backbone interact. energy: -1.202
local terms energy: -146.176896
where:
bonds (distance) C4'-P energy: -32.350
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -28.724
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -37.790
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: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -431.290751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.290751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.290751 (E_RNA)
where:
Base-Base interactions energy: -276.459
where: short stacking energy: -129.583
Base-Backbone interact. energy: -0.289
local terms energy: -154.542819
where:
bonds (distance) C4'-P energy: -24.607
bonds (distance) P-C4' energy: -33.573
flat angles C4'-P-C4' energy: -36.523
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -43.604
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: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -404.727717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.727717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.727717 (E_RNA)
where:
Base-Base interactions energy: -262.186
where: short stacking energy: -112.320
Base-Backbone interact. energy: -0.379
local terms energy: -142.163259
where:
bonds (distance) C4'-P energy: -31.527
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -34.619
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -27.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -292.076787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.076787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.076787 (E_RNA)
where:
Base-Base interactions energy: -171.672
where: short stacking energy: -96.189
Base-Backbone interact. energy: -0.303
local terms energy: -120.101471
where:
bonds (distance) C4'-P energy: -27.351
bonds (distance) P-C4' energy: -33.513
flat angles C4'-P-C4' energy: -25.160
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -18.889
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: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -201.622107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.622107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.622107 (E_RNA)
where:
Base-Base interactions energy: -79.360
where: short stacking energy: -60.101
Base-Backbone interact. energy: -0.531
local terms energy: -121.731103
where:
bonds (distance) C4'-P energy: -33.287
bonds (distance) P-C4' energy: -30.768
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -18.276
tors. eta vs tors. theta energy: -7.355
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: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -168.120306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.120306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.120306 (E_RNA)
where:
Base-Base interactions energy: -64.804
where: short stacking energy: -51.904
Base-Backbone interact. energy: -0.917
local terms energy: -102.399172
where:
bonds (distance) C4'-P energy: -34.129
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -24.557
tors. eta vs tors. theta energy: 2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -158.768788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.768788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.768788 (E_RNA)
where:
Base-Base interactions energy: -59.760
where: short stacking energy: -50.701
Base-Backbone interact. energy: -0.331
local terms energy: -98.677014
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -34.294
flat angles C4'-P-C4' energy: -26.665
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: 1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -156.528184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.528184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.528184 (E_RNA)
where:
Base-Base interactions energy: -47.800
where: short stacking energy: -20.304
Base-Backbone interact. energy: -0.096
local terms energy: -108.631791
where:
bonds (distance) C4'-P energy: -37.451
bonds (distance) P-C4' energy: -35.131
flat angles C4'-P-C4' energy: -30.155
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: 11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -541.939912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.939912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.939912 (E_RNA)
where:
Base-Base interactions energy: -347.466
where: short stacking energy: -169.859
Base-Backbone interact. energy: -0.089
local terms energy: -194.384446
where:
bonds (distance) C4'-P energy: -34.879
bonds (distance) P-C4' energy: -38.364
flat angles C4'-P-C4' energy: -34.580
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -60.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -530.858436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.858436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.858436 (E_RNA)
where:
Base-Base interactions energy: -358.731
where: short stacking energy: -146.350
Base-Backbone interact. energy: -0.914
local terms energy: -171.213218
where:
bonds (distance) C4'-P energy: -40.034
bonds (distance) P-C4' energy: -29.065
flat angles C4'-P-C4' energy: -35.051
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -50.569
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: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -522.067771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.067771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.067771 (E_RNA)
where:
Base-Base interactions energy: -359.718
where: short stacking energy: -134.837
Base-Backbone interact. energy: -1.582
local terms energy: -160.768216
where:
bonds (distance) C4'-P energy: -28.207
bonds (distance) P-C4' energy: -31.945
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -25.011
tors. eta vs tors. theta energy: -42.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -420.438568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.438568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.438568 (E_RNA)
where:
Base-Base interactions energy: -255.985
where: short stacking energy: -122.627
Base-Backbone interact. energy: -1.612
local terms energy: -162.841357
where:
bonds (distance) C4'-P energy: -35.759
bonds (distance) P-C4' energy: -32.275
flat angles C4'-P-C4' energy: -35.726
flat angles P-C4'-P energy: -26.810
tors. eta vs tors. theta energy: -32.271
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: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -412.918262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.918262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.918262 (E_RNA)
where:
Base-Base interactions energy: -255.517
where: short stacking energy: -112.358
Base-Backbone interact. energy: -1.235
local terms energy: -156.166552
where:
bonds (distance) C4'-P energy: -23.940
bonds (distance) P-C4' energy: -30.150
flat angles C4'-P-C4' energy: -38.808
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -36.399
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: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -290.361234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.361234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.361234 (E_RNA)
where:
Base-Base interactions energy: -149.987
where: short stacking energy: -82.090
Base-Backbone interact. energy: -1.656
local terms energy: -138.718215
where:
bonds (distance) C4'-P energy: -37.949
bonds (distance) P-C4' energy: -35.692
flat angles C4'-P-C4' energy: -28.010
flat angles P-C4'-P energy: -25.268
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -184.061507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.061507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.061507 (E_RNA)
where:
Base-Base interactions energy: -67.564
where: short stacking energy: -63.858
Base-Backbone interact. energy: 0.042
local terms energy: -116.538870
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -36.567
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -18.510
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -171.263395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.263395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.263395 (E_RNA)
where:
Base-Base interactions energy: -68.527
where: short stacking energy: -47.846
Base-Backbone interact. energy: 0.874
local terms energy: -103.610715
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -170.385127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.385127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.385127 (E_RNA)
where:
Base-Base interactions energy: -54.005
where: short stacking energy: -38.011
Base-Backbone interact. energy: -0.502
local terms energy: -115.878320
where:
bonds (distance) C4'-P energy: -25.625
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -154.146503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.146503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.146503 (E_RNA)
where:
Base-Base interactions energy: -45.469
where: short stacking energy: -30.830
Base-Backbone interact. energy: 0.687
local terms energy: -109.364379
where:
bonds (distance) C4'-P energy: -37.830
bonds (distance) P-C4' energy: -29.947
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -567.221597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.221597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.221597 (E_RNA)
where:
Base-Base interactions energy: -372.527
where: short stacking energy: -162.575
Base-Backbone interact. energy: -0.571
local terms energy: -194.123506
where:
bonds (distance) C4'-P energy: -40.593
bonds (distance) P-C4' energy: -37.313
flat angles C4'-P-C4' energy: -38.006
flat angles P-C4'-P energy: -25.973
tors. eta vs tors. theta energy: -52.238
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: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -522.190404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.190404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.190404 (E_RNA)
where:
Base-Base interactions energy: -340.009
where: short stacking energy: -167.123
Base-Backbone interact. energy: -0.002
local terms energy: -182.179683
where:
bonds (distance) C4'-P energy: -33.949
bonds (distance) P-C4' energy: -33.362
flat angles C4'-P-C4' energy: -40.872
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -55.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -508.173196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.173196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.173196 (E_RNA)
where:
Base-Base interactions energy: -340.399
where: short stacking energy: -132.261
Base-Backbone interact. energy: -1.189
local terms energy: -166.585447
where:
bonds (distance) C4'-P energy: -35.755
bonds (distance) P-C4' energy: -36.401
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -22.141
tors. eta vs tors. theta energy: -38.931
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: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -430.106475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.106475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.106475 (E_RNA)
where:
Base-Base interactions energy: -278.251
where: short stacking energy: -105.069
Base-Backbone interact. energy: -0.542
local terms energy: -151.313353
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -29.645
flat angles C4'-P-C4' energy: -31.326
flat angles P-C4'-P energy: -26.779
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: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -419.461885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.461885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.461885 (E_RNA)
where:
Base-Base interactions energy: -253.414
where: short stacking energy: -112.770
Base-Backbone interact. energy: -1.428
local terms energy: -164.620154
where:
bonds (distance) C4'-P energy: -37.062
bonds (distance) P-C4' energy: -36.634
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -29.523
tors. eta vs tors. theta energy: -30.642
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: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -264.378278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.378278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.378278 (E_RNA)
where:
Base-Base interactions energy: -141.909
where: short stacking energy: -69.527
Base-Backbone interact. energy: -0.418
local terms energy: -122.050532
where:
bonds (distance) C4'-P energy: -30.886
bonds (distance) P-C4' energy: -35.219
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -183.785619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.785619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.785619 (E_RNA)
where:
Base-Base interactions energy: -55.238
where: short stacking energy: -37.947
Base-Backbone interact. energy: -0.199
local terms energy: -128.348547
where:
bonds (distance) C4'-P energy: -33.428
bonds (distance) P-C4' energy: -41.267
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -3.347
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: 86
Temperature: 1.250000
Total energy: -163.376403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.376403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.376403 (E_RNA)
where:
Base-Base interactions energy: -46.490
where: short stacking energy: -38.142
Base-Backbone interact. energy: -0.277
local terms energy: -116.609387
where:
bonds (distance) C4'-P energy: -31.469
bonds (distance) P-C4' energy: -35.911
flat angles C4'-P-C4' energy: -30.730
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -154.244779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.244779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.244779 (E_RNA)
where:
Base-Base interactions energy: -56.652
where: short stacking energy: -43.520
Base-Backbone interact. energy: -0.491
local terms energy: -97.101500
where:
bonds (distance) C4'-P energy: -31.053
bonds (distance) P-C4' energy: -31.015
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: 0.278
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: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -145.772866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.772866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.772866 (E_RNA)
where:
Base-Base interactions energy: -52.184
where: short stacking energy: -48.996
Base-Backbone interact. energy: 0.601
local terms energy: -94.189542
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -28.540
flat angles C4'-P-C4' energy: -25.078
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -550.631231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.631231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.631231 (E_RNA)
where:
Base-Base interactions energy: -372.294
where: short stacking energy: -156.439
Base-Backbone interact. energy: 0.381
local terms energy: -178.717705
where:
bonds (distance) C4'-P energy: -32.754
bonds (distance) P-C4' energy: -30.102
flat angles C4'-P-C4' energy: -38.290
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -53.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -498.122343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.122343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.122343 (E_RNA)
where:
Base-Base interactions energy: -328.766
where: short stacking energy: -123.283
Base-Backbone interact. energy: 0.049
local terms energy: -169.405389
where:
bonds (distance) C4'-P energy: -29.699
bonds (distance) P-C4' energy: -39.021
flat angles C4'-P-C4' energy: -33.976
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: -43.561
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: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -487.209839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.209839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.209839 (E_RNA)
where:
Base-Base interactions energy: -301.948
where: short stacking energy: -140.343
Base-Backbone interact. energy: -1.040
local terms energy: -184.222181
where:
bonds (distance) C4'-P energy: -38.078
bonds (distance) P-C4' energy: -35.388
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -26.290
tors. eta vs tors. theta energy: -50.518
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: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -439.859886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.859886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.859886 (E_RNA)
where:
Base-Base interactions energy: -275.600
where: short stacking energy: -126.174
Base-Backbone interact. energy: 0.380
local terms energy: -164.640191
where:
bonds (distance) C4'-P energy: -32.498
bonds (distance) P-C4' energy: -39.072
flat angles C4'-P-C4' energy: -34.621
flat angles P-C4'-P energy: -25.004
tors. eta vs tors. theta energy: -33.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -411.545133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.545133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.545133 (E_RNA)
where:
Base-Base interactions energy: -262.596
where: short stacking energy: -104.429
Base-Backbone interact. energy: -1.754
local terms energy: -147.195358
where:
bonds (distance) C4'-P energy: -33.472
bonds (distance) P-C4' energy: -33.235
flat angles C4'-P-C4' energy: -32.282
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -26.795
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: 87
Temperature: 1.150000
Total energy: -306.659892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.659892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.659892 (E_RNA)
where:
Base-Base interactions energy: -179.742
where: short stacking energy: -103.578
Base-Backbone interact. energy: -0.746
local terms energy: -126.171289
where:
bonds (distance) C4'-P energy: -36.705
bonds (distance) P-C4' energy: -27.749
flat angles C4'-P-C4' energy: -30.508
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -15.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -197.968262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.968262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.968262 (E_RNA)
where:
Base-Base interactions energy: -81.603
where: short stacking energy: -47.174
Base-Backbone interact. energy: -1.408
local terms energy: -114.957568
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: 0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -184.101493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.101493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.101493 (E_RNA)
where:
Base-Base interactions energy: -73.879
where: short stacking energy: -55.296
Base-Backbone interact. energy: -0.581
local terms energy: -109.641654
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -38.241
flat angles C4'-P-C4' energy: -29.734
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -155.095492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.095492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.095492 (E_RNA)
where:
Base-Base interactions energy: -50.419
where: short stacking energy: -46.757
Base-Backbone interact. energy: -1.917
local terms energy: -102.759762
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -28.594
flat angles C4'-P-C4' energy: -28.922
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: 5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -146.903512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.903512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.903512 (E_RNA)
where:
Base-Base interactions energy: -48.792
where: short stacking energy: -41.343
Base-Backbone interact. energy: 0.978
local terms energy: -99.089581
where:
bonds (distance) C4'-P energy: -32.319
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -23.552
tors. eta vs tors. theta energy: 3.388
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: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -556.484075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.484075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.484075 (E_RNA)
where:
Base-Base interactions energy: -373.132
where: short stacking energy: -148.733
Base-Backbone interact. energy: -0.603
local terms energy: -182.749237
where:
bonds (distance) C4'-P energy: -32.215
bonds (distance) P-C4' energy: -35.563
flat angles C4'-P-C4' energy: -41.287
flat angles P-C4'-P energy: -25.710
tors. eta vs tors. theta energy: -47.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -512.357067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.357067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.357067 (E_RNA)
where:
Base-Base interactions energy: -329.064
where: short stacking energy: -140.254
Base-Backbone interact. energy: 1.333
local terms energy: -184.626220
where:
bonds (distance) C4'-P energy: -39.598
bonds (distance) P-C4' energy: -39.395
flat angles C4'-P-C4' energy: -36.398
flat angles P-C4'-P energy: -24.749
tors. eta vs tors. theta energy: -44.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -449.992692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.992692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.992692 (E_RNA)
where:
Base-Base interactions energy: -286.141
where: short stacking energy: -139.496
Base-Backbone interact. energy: -0.035
local terms energy: -163.816425
where:
bonds (distance) C4'-P energy: -29.539
bonds (distance) P-C4' energy: -34.198
flat angles C4'-P-C4' energy: -35.627
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -41.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -453.710817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.710817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.710817 (E_RNA)
where:
Base-Base interactions energy: -287.445
where: short stacking energy: -134.639
Base-Backbone interact. energy: -0.164
local terms energy: -166.101549
where:
bonds (distance) C4'-P energy: -36.375
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -33.879
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -45.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -433.717384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.717384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.717384 (E_RNA)
where:
Base-Base interactions energy: -281.386
where: short stacking energy: -106.144
Base-Backbone interact. energy: -0.536
local terms energy: -151.795074
where:
bonds (distance) C4'-P energy: -28.099
bonds (distance) P-C4' energy: -33.749
flat angles C4'-P-C4' energy: -36.016
flat angles P-C4'-P energy: -18.961
tors. eta vs tors. theta energy: -34.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -312.074420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.074420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.074420 (E_RNA)
where:
Base-Base interactions energy: -185.142
where: short stacking energy: -83.334
Base-Backbone interact. energy: -0.891
local terms energy: -126.041124
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -31.358
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -21.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -197.225832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.225832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.225832 (E_RNA)
where:
Base-Base interactions energy: -73.623
where: short stacking energy: -62.163
Base-Backbone interact. energy: -0.267
local terms energy: -123.336615
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -34.119
flat angles C4'-P-C4' energy: -27.945
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -177.016075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.016075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.016075 (E_RNA)
where:
Base-Base interactions energy: -67.933
where: short stacking energy: -28.720
Base-Backbone interact. energy: -1.299
local terms energy: -107.784499
where:
bonds (distance) C4'-P energy: -36.962
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -23.330
tors. eta vs tors. theta energy: 8.726
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: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -182.979417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.979417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.979417 (E_RNA)
where:
Base-Base interactions energy: -83.451
where: short stacking energy: -57.408
Base-Backbone interact. energy: 0.483
local terms energy: -100.011511
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -23.851
flat angles C4'-P-C4' energy: -33.466
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -152.719650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.719650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.719650 (E_RNA)
where:
Base-Base interactions energy: -53.331
where: short stacking energy: -33.730
Base-Backbone interact. energy: -0.711
local terms energy: -98.677860
where:
bonds (distance) C4'-P energy: -33.319
bonds (distance) P-C4' energy: -35.885
flat angles C4'-P-C4' energy: -30.814
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: 9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -570.776387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.776387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.776387 (E_RNA)
where:
Base-Base interactions energy: -374.926
where: short stacking energy: -154.569
Base-Backbone interact. energy: -2.428
local terms energy: -193.421937
where:
bonds (distance) C4'-P energy: -38.811
bonds (distance) P-C4' energy: -38.966
flat angles C4'-P-C4' energy: -37.772
flat angles P-C4'-P energy: -26.783
tors. eta vs tors. theta energy: -51.090
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: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -513.362930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.362930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.362930 (E_RNA)
where:
Base-Base interactions energy: -345.547
where: short stacking energy: -144.511
Base-Backbone interact. energy: 0.141
local terms energy: -167.957433
where:
bonds (distance) C4'-P energy: -33.871
bonds (distance) P-C4' energy: -34.831
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -45.129
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: 89
Temperature: 1.000000
Total energy: -455.990196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.990196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.990196 (E_RNA)
where:
Base-Base interactions energy: -289.753
where: short stacking energy: -152.255
Base-Backbone interact. energy: 0.074
local terms energy: -166.311892
where:
bonds (distance) C4'-P energy: -35.812
bonds (distance) P-C4' energy: -34.801
flat angles C4'-P-C4' energy: -33.490
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -44.928
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: 89
Temperature: 1.050000
Total energy: -435.568410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.568410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.568410 (E_RNA)
where:
Base-Base interactions energy: -275.226
where: short stacking energy: -143.931
Base-Backbone interact. energy: -0.297
local terms energy: -160.045245
where:
bonds (distance) C4'-P energy: -24.100
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -42.644
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -42.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -409.387751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.387751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.387751 (E_RNA)
where:
Base-Base interactions energy: -256.228
where: short stacking energy: -100.983
Base-Backbone interact. energy: 1.265
local terms energy: -154.425311
where:
bonds (distance) C4'-P energy: -30.339
bonds (distance) P-C4' energy: -40.777
flat angles C4'-P-C4' energy: -30.898
flat angles P-C4'-P energy: -23.092
tors. eta vs tors. theta energy: -29.318
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: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -285.045466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.045466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.045466 (E_RNA)
where:
Base-Base interactions energy: -157.780
where: short stacking energy: -83.393
Base-Backbone interact. energy: -0.397
local terms energy: -126.868982
where:
bonds (distance) C4'-P energy: -23.839
bonds (distance) P-C4' energy: -35.015
flat angles C4'-P-C4' energy: -34.511
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -185.731565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.731565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.731565 (E_RNA)
where:
Base-Base interactions energy: -59.667
where: short stacking energy: -54.972
Base-Backbone interact. energy: -1.061
local terms energy: -125.003503
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -38.036
flat angles C4'-P-C4' energy: -31.034
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -172.372383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.372383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.372383 (E_RNA)
where:
Base-Base interactions energy: -72.721
where: short stacking energy: -49.137
Base-Backbone interact. energy: -1.502
local terms energy: -98.149510
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -31.396
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -22.066
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: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -168.968223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.968223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.968223 (E_RNA)
where:
Base-Base interactions energy: -59.635
where: short stacking energy: -36.155
Base-Backbone interact. energy: -0.845
local terms energy: -108.488601
where:
bonds (distance) C4'-P energy: -32.545
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: 1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -161.153749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.153749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.153749 (E_RNA)
where:
Base-Base interactions energy: -56.239
where: short stacking energy: -35.659
Base-Backbone interact. energy: -0.289
local terms energy: -104.625921
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -36.227
flat angles C4'-P-C4' energy: -30.285
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: 0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -552.235105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.235105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.235105 (E_RNA)
where:
Base-Base interactions energy: -365.522
where: short stacking energy: -149.243
Base-Backbone interact. energy: 0.869
local terms energy: -187.582867
where:
bonds (distance) C4'-P energy: -40.037
bonds (distance) P-C4' energy: -38.106
flat angles C4'-P-C4' energy: -30.901
flat angles P-C4'-P energy: -28.259
tors. eta vs tors. theta energy: -50.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -523.043754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.043754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.043754 (E_RNA)
where:
Base-Base interactions energy: -350.363
where: short stacking energy: -147.193
Base-Backbone interact. energy: 0.374
local terms energy: -173.054954
where:
bonds (distance) C4'-P energy: -36.296
bonds (distance) P-C4' energy: -36.761
flat angles C4'-P-C4' energy: -36.572
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -44.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -500.115604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.115604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.115604 (E_RNA)
where:
Base-Base interactions energy: -322.010
where: short stacking energy: -149.382
Base-Backbone interact. energy: -0.398
local terms energy: -177.707148
where:
bonds (distance) C4'-P energy: -33.772
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -36.279
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -52.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -434.326332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.326332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.326332 (E_RNA)
where:
Base-Base interactions energy: -281.116
where: short stacking energy: -125.384
Base-Backbone interact. energy: 0.148
local terms energy: -153.358283
where:
bonds (distance) C4'-P energy: -27.330
bonds (distance) P-C4' energy: -32.889
flat angles C4'-P-C4' energy: -28.209
flat angles P-C4'-P energy: -24.475
tors. eta vs tors. theta energy: -40.455
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: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -421.791506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.791506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.791506 (E_RNA)
where:
Base-Base interactions energy: -278.334
where: short stacking energy: -103.428
Base-Backbone interact. energy: -2.216
local terms energy: -141.241506
where:
bonds (distance) C4'-P energy: -26.304
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -37.608
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -26.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -282.786039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.786039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.786039 (E_RNA)
where:
Base-Base interactions energy: -152.704
where: short stacking energy: -95.637
Base-Backbone interact. energy: 0.934
local terms energy: -131.016382
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -34.843
flat angles C4'-P-C4' energy: -30.956
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -28.919
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: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -173.007678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.007678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.007678 (E_RNA)
where:
Base-Base interactions energy: -71.761
where: short stacking energy: -63.181
Base-Backbone interact. energy: -0.639
local terms energy: -100.607929
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -26.602
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -7.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -207.563653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.563653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.563653 (E_RNA)
where:
Base-Base interactions energy: -103.152
where: short stacking energy: -70.743
Base-Backbone interact. energy: -0.044
local terms energy: -104.368262
where:
bonds (distance) C4'-P energy: -24.021
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -176.743688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.743688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.743688 (E_RNA)
where:
Base-Base interactions energy: -78.866
where: short stacking energy: -63.719
Base-Backbone interact. energy: 0.853
local terms energy: -98.730642
where:
bonds (distance) C4'-P energy: -33.234
bonds (distance) P-C4' energy: -25.971
flat angles C4'-P-C4' energy: -25.177
flat angles P-C4'-P energy: -6.613
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: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -192.484991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.484991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.484991 (E_RNA)
where:
Base-Base interactions energy: -90.410
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.355
local terms energy: -101.719601
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -34.209
flat angles C4'-P-C4' energy: -28.253
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -528.240131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.240131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.240131 (E_RNA)
where:
Base-Base interactions energy: -355.968
where: short stacking energy: -154.632
Base-Backbone interact. energy: -0.303
local terms energy: -171.968631
where:
bonds (distance) C4'-P energy: -32.903
bonds (distance) P-C4' energy: -30.382
flat angles C4'-P-C4' energy: -36.099
flat angles P-C4'-P energy: -26.940
tors. eta vs tors. theta energy: -45.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -504.987721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.987721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.987721 (E_RNA)
where:
Base-Base interactions energy: -317.067
where: short stacking energy: -152.346
Base-Backbone interact. energy: -0.325
local terms energy: -187.595317
where:
bonds (distance) C4'-P energy: -32.092
bonds (distance) P-C4' energy: -37.968
flat angles C4'-P-C4' energy: -36.984
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -54.033
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: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -499.844795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.844795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.844795 (E_RNA)
where:
Base-Base interactions energy: -345.726
where: short stacking energy: -141.179
Base-Backbone interact. energy: 0.957
local terms energy: -155.075442
where:
bonds (distance) C4'-P energy: -32.256
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -31.394
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: -40.844
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: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -423.418915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.418915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.418915 (E_RNA)
where:
Base-Base interactions energy: -274.758
where: short stacking energy: -105.655
Base-Backbone interact. energy: -0.785
local terms energy: -147.875908
where:
bonds (distance) C4'-P energy: -33.887
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -33.938
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -22.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -401.990134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.990134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.990134 (E_RNA)
where:
Base-Base interactions energy: -256.685
where: short stacking energy: -118.895
Base-Backbone interact. energy: -1.150
local terms energy: -144.155094
where:
bonds (distance) C4'-P energy: -25.721
bonds (distance) P-C4' energy: -24.885
flat angles C4'-P-C4' energy: -38.056
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -33.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -309.720438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.720438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.720438 (E_RNA)
where:
Base-Base interactions energy: -180.314
where: short stacking energy: -94.181
Base-Backbone interact. energy: -0.781
local terms energy: -128.625505
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -29.375
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -209.094443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.094443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.094443 (E_RNA)
where:
Base-Base interactions energy: -77.611
where: short stacking energy: -77.611
Base-Backbone interact. energy: -0.093
local terms energy: -131.389841
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -32.506
flat angles C4'-P-C4' energy: -35.560
flat angles P-C4'-P energy: -20.867
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -221.891427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.891427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.891427 (E_RNA)
where:
Base-Base interactions energy: -107.013
where: short stacking energy: -59.457
Base-Backbone interact. energy: -0.911
local terms energy: -113.966683
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -31.683
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -23.076
tors. eta vs tors. theta energy: -12.450
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: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -174.216742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.216742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.216742 (E_RNA)
where:
Base-Base interactions energy: -59.041
where: short stacking energy: -56.510
Base-Backbone interact. energy: -0.886
local terms energy: -114.289754
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -27.024
flat angles P-C4'-P energy: -22.746
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: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -145.497220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.497220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.497220 (E_RNA)
where:
Base-Base interactions energy: -51.152
where: short stacking energy: -43.111
Base-Backbone interact. energy: -1.358
local terms energy: -92.986447
where:
bonds (distance) C4'-P energy: -34.914
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: 2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -521.061503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.061503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.061503 (E_RNA)
where:
Base-Base interactions energy: -347.617
where: short stacking energy: -149.856
Base-Backbone interact. energy: 1.463
local terms energy: -174.907490
where:
bonds (distance) C4'-P energy: -35.688
bonds (distance) P-C4' energy: -34.470
flat angles C4'-P-C4' energy: -36.355
flat angles P-C4'-P energy: -26.602
tors. eta vs tors. theta energy: -41.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -523.261002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.261002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.261002 (E_RNA)
where:
Base-Base interactions energy: -338.924
where: short stacking energy: -164.574
Base-Backbone interact. energy: -0.020
local terms energy: -184.317216
where:
bonds (distance) C4'-P energy: -27.265
bonds (distance) P-C4' energy: -32.628
flat angles C4'-P-C4' energy: -39.921
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -60.180
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: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -472.622248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.622248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.622248 (E_RNA)
where:
Base-Base interactions energy: -318.548
where: short stacking energy: -127.939
Base-Backbone interact. energy: -1.166
local terms energy: -152.908787
where:
bonds (distance) C4'-P energy: -40.210
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -34.839
flat angles P-C4'-P energy: -21.954
tors. eta vs tors. theta energy: -21.293
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: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -498.100717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.100717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.100717 (E_RNA)
where:
Base-Base interactions energy: -321.789
where: short stacking energy: -128.125
Base-Backbone interact. energy: 0.085
local terms energy: -176.397134
where:
bonds (distance) C4'-P energy: -30.314
bonds (distance) P-C4' energy: -42.557
flat angles C4'-P-C4' energy: -38.104
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -41.924
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: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -398.306061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.306061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.306061 (E_RNA)
where:
Base-Base interactions energy: -244.532
where: short stacking energy: -117.701
Base-Backbone interact. energy: -0.668
local terms energy: -153.106687
where:
bonds (distance) C4'-P energy: -33.690
bonds (distance) P-C4' energy: -33.836
flat angles C4'-P-C4' energy: -37.579
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -32.828
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: 92
Temperature: 1.150000
Total energy: -263.413346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.413346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.413346 (E_RNA)
where:
Base-Base interactions energy: -137.814
where: short stacking energy: -80.289
Base-Backbone interact. energy: 0.874
local terms energy: -126.473960
where:
bonds (distance) C4'-P energy: -30.057
bonds (distance) P-C4' energy: -28.910
flat angles C4'-P-C4' energy: -34.903
flat angles P-C4'-P energy: -20.435
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -260.814203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.814203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.814203 (E_RNA)
where:
Base-Base interactions energy: -131.317
where: short stacking energy: -76.218
Base-Backbone interact. energy: -0.440
local terms energy: -129.057431
where:
bonds (distance) C4'-P energy: -27.768
bonds (distance) P-C4' energy: -30.680
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -23.925
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -159.744867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.744867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.744867 (E_RNA)
where:
Base-Base interactions energy: -59.999
where: short stacking energy: -46.842
Base-Backbone interact. energy: -2.263
local terms energy: -97.483020
where:
bonds (distance) C4'-P energy: -29.975
bonds (distance) P-C4' energy: -29.240
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -16.234
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: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -168.114788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.114788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.114788 (E_RNA)
where:
Base-Base interactions energy: -61.621
where: short stacking energy: -39.527
Base-Backbone interact. energy: 0.345
local terms energy: -106.839425
where:
bonds (distance) C4'-P energy: -29.300
bonds (distance) P-C4' energy: -28.764
flat angles C4'-P-C4' energy: -29.209
flat angles P-C4'-P energy: -23.249
tors. eta vs tors. theta energy: 3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -147.822934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.822934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.822934 (E_RNA)
where:
Base-Base interactions energy: -46.239
where: short stacking energy: -24.296
Base-Backbone interact. energy: -1.873
local terms energy: -99.711146
where:
bonds (distance) C4'-P energy: -33.765
bonds (distance) P-C4' energy: -34.223
flat angles C4'-P-C4' energy: -29.215
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: 11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -540.192412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.192412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.192412 (E_RNA)
where:
Base-Base interactions energy: -353.287
where: short stacking energy: -156.137
Base-Backbone interact. energy: -0.903
local terms energy: -186.002326
where:
bonds (distance) C4'-P energy: -33.960
bonds (distance) P-C4' energy: -35.279
flat angles C4'-P-C4' energy: -34.969
flat angles P-C4'-P energy: -33.054
tors. eta vs tors. theta energy: -48.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -533.207422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.207422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.207422 (E_RNA)
where:
Base-Base interactions energy: -326.962
where: short stacking energy: -160.544
Base-Backbone interact. energy: -0.265
local terms energy: -205.980486
where:
bonds (distance) C4'-P energy: -34.763
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -39.425
flat angles P-C4'-P energy: -34.642
tors. eta vs tors. theta energy: -60.671
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: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -488.880299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.880299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.880299 (E_RNA)
where:
Base-Base interactions energy: -331.765
where: short stacking energy: -126.760
Base-Backbone interact. energy: -0.447
local terms energy: -156.667782
where:
bonds (distance) C4'-P energy: -34.545
bonds (distance) P-C4' energy: -29.386
flat angles C4'-P-C4' energy: -38.202
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -33.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -490.219030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.219030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.219030 (E_RNA)
where:
Base-Base interactions energy: -331.848
where: short stacking energy: -134.054
Base-Backbone interact. energy: 0.445
local terms energy: -158.816103
where:
bonds (distance) C4'-P energy: -37.373
bonds (distance) P-C4' energy: -27.253
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -24.332
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: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -366.281031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.281031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.281031 (E_RNA)
where:
Base-Base interactions energy: -226.576
where: short stacking energy: -102.000
Base-Backbone interact. energy: -1.220
local terms energy: -138.485141
where:
bonds (distance) C4'-P energy: -32.446
bonds (distance) P-C4' energy: -30.439
flat angles C4'-P-C4' energy: -30.877
flat angles P-C4'-P energy: -25.309
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -264.117841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.117841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.117841 (E_RNA)
where:
Base-Base interactions energy: -142.168
where: short stacking energy: -78.447
Base-Backbone interact. energy: 0.484
local terms energy: -122.433657
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -33.843
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -24.123
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -255.941272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.941272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.941272 (E_RNA)
where:
Base-Base interactions energy: -133.733
where: short stacking energy: -58.518
Base-Backbone interact. energy: -0.872
local terms energy: -121.336327
where:
bonds (distance) C4'-P energy: -37.805
bonds (distance) P-C4' energy: -32.187
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -27.524
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -177.941123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.941123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.941123 (E_RNA)
where:
Base-Base interactions energy: -55.402
where: short stacking energy: -46.666
Base-Backbone interact. energy: -0.514
local terms energy: -122.024797
where:
bonds (distance) C4'-P energy: -35.267
bonds (distance) P-C4' energy: -32.667
flat angles C4'-P-C4' energy: -37.202
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -161.881079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.881079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.881079 (E_RNA)
where:
Base-Base interactions energy: -48.347
where: short stacking energy: -33.651
Base-Backbone interact. energy: -0.761
local terms energy: -112.773477
where:
bonds (distance) C4'-P energy: -38.226
bonds (distance) P-C4' energy: -37.355
flat angles C4'-P-C4' energy: -27.326
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: 3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -141.017749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.017749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.017749 (E_RNA)
where:
Base-Base interactions energy: -57.976
where: short stacking energy: -35.037
Base-Backbone interact. energy: -0.340
local terms energy: -82.702710
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: 4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -535.843403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.843403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.843403 (E_RNA)
where:
Base-Base interactions energy: -342.476
where: short stacking energy: -177.705
Base-Backbone interact. energy: -0.703
local terms energy: -192.664468
where:
bonds (distance) C4'-P energy: -39.030
bonds (distance) P-C4' energy: -33.359
flat angles C4'-P-C4' energy: -40.759
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -57.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -534.550706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.550706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.550706 (E_RNA)
where:
Base-Base interactions energy: -350.260
where: short stacking energy: -157.842
Base-Backbone interact. energy: -1.611
local terms energy: -182.679712
where:
bonds (distance) C4'-P energy: -37.759
bonds (distance) P-C4' energy: -42.834
flat angles C4'-P-C4' energy: -32.510
flat angles P-C4'-P energy: -22.949
tors. eta vs tors. theta energy: -46.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -488.565410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.565410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.565410 (E_RNA)
where:
Base-Base interactions energy: -328.364
where: short stacking energy: -128.914
Base-Backbone interact. energy: -1.827
local terms energy: -158.374169
where:
bonds (distance) C4'-P energy: -37.929
bonds (distance) P-C4' energy: -33.010
flat angles C4'-P-C4' energy: -25.782
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -43.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -465.247116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.247116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.247116 (E_RNA)
where:
Base-Base interactions energy: -317.298
where: short stacking energy: -126.133
Base-Backbone interact. energy: -0.240
local terms energy: -147.708940
where:
bonds (distance) C4'-P energy: -33.654
bonds (distance) P-C4' energy: -31.966
flat angles C4'-P-C4' energy: -29.733
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -29.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -373.724451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.724451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.724451 (E_RNA)
where:
Base-Base interactions energy: -224.636
where: short stacking energy: -109.282
Base-Backbone interact. energy: -0.280
local terms energy: -148.808572
where:
bonds (distance) C4'-P energy: -31.890
bonds (distance) P-C4' energy: -32.594
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -24.908
tors. eta vs tors. theta energy: -28.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -246.106452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.106452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.106452 (E_RNA)
where:
Base-Base interactions energy: -124.784
where: short stacking energy: -76.010
Base-Backbone interact. energy: -0.515
local terms energy: -120.807718
where:
bonds (distance) C4'-P energy: -35.511
bonds (distance) P-C4' energy: -33.760
flat angles C4'-P-C4' energy: -28.872
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -280.853079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.853079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.853079 (E_RNA)
where:
Base-Base interactions energy: -156.487
where: short stacking energy: -89.226
Base-Backbone interact. energy: 0.841
local terms energy: -125.206581
where:
bonds (distance) C4'-P energy: -26.923
bonds (distance) P-C4' energy: -37.885
flat angles C4'-P-C4' energy: -29.631
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -183.047165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.047165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.047165 (E_RNA)
where:
Base-Base interactions energy: -87.277
where: short stacking energy: -45.946
Base-Backbone interact. energy: 0.386
local terms energy: -96.155935
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -27.826
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -157.516515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.516515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.516515 (E_RNA)
where:
Base-Base interactions energy: -61.677
where: short stacking energy: -42.239
Base-Backbone interact. energy: -0.840
local terms energy: -95.000147
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -37.375
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: 5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -152.931723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.931723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.931723 (E_RNA)
where:
Base-Base interactions energy: -56.755
where: short stacking energy: -39.861
Base-Backbone interact. energy: -0.712
local terms energy: -95.463898
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -30.494
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: 1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -538.161349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.161349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.161349 (E_RNA)
where:
Base-Base interactions energy: -343.671
where: short stacking energy: -169.691
Base-Backbone interact. energy: -0.161
local terms energy: -194.329495
where:
bonds (distance) C4'-P energy: -34.171
bonds (distance) P-C4' energy: -35.593
flat angles C4'-P-C4' energy: -40.743
flat angles P-C4'-P energy: -27.807
tors. eta vs tors. theta energy: -56.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -513.808150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.808150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.808150 (E_RNA)
where:
Base-Base interactions energy: -343.598
where: short stacking energy: -154.481
Base-Backbone interact. energy: 0.841
local terms energy: -171.051315
where:
bonds (distance) C4'-P energy: -31.503
bonds (distance) P-C4' energy: -32.321
flat angles C4'-P-C4' energy: -40.832
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: -44.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -492.050580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.050580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.050580 (E_RNA)
where:
Base-Base interactions energy: -325.261
where: short stacking energy: -127.747
Base-Backbone interact. energy: -1.207
local terms energy: -165.583408
where:
bonds (distance) C4'-P energy: -33.131
bonds (distance) P-C4' energy: -36.556
flat angles C4'-P-C4' energy: -38.998
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -41.112
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: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -450.398925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.398925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.398925 (E_RNA)
where:
Base-Base interactions energy: -292.987
where: short stacking energy: -113.930
Base-Backbone interact. energy: -1.156
local terms energy: -156.255768
where:
bonds (distance) C4'-P energy: -36.112
bonds (distance) P-C4' energy: -37.246
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: -29.116
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: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -408.992641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.992641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.992641 (E_RNA)
where:
Base-Base interactions energy: -255.518
where: short stacking energy: -93.672
Base-Backbone interact. energy: -0.472
local terms energy: -153.002348
where:
bonds (distance) C4'-P energy: -32.953
bonds (distance) P-C4' energy: -33.567
flat angles C4'-P-C4' energy: -36.637
flat angles P-C4'-P energy: -23.344
tors. eta vs tors. theta energy: -26.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -286.532471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.532471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.532471 (E_RNA)
where:
Base-Base interactions energy: -145.918
where: short stacking energy: -76.894
Base-Backbone interact. energy: -0.137
local terms energy: -140.477494
where:
bonds (distance) C4'-P energy: -36.153
bonds (distance) P-C4' energy: -37.556
flat angles C4'-P-C4' energy: -35.753
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -249.562343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.562343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.562343 (E_RNA)
where:
Base-Base interactions energy: -117.354
where: short stacking energy: -61.005
Base-Backbone interact. energy: -0.869
local terms energy: -131.339239
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -37.233
flat angles C4'-P-C4' energy: -33.769
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -185.595947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.595947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.595947 (E_RNA)
where:
Base-Base interactions energy: -89.259
where: short stacking energy: -42.403
Base-Backbone interact. energy: -0.365
local terms energy: -95.971668
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -27.204
flat angles C4'-P-C4' energy: -26.702
flat angles P-C4'-P energy: -19.838
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -165.671260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.671260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.671260 (E_RNA)
where:
Base-Base interactions energy: -74.525
where: short stacking energy: -62.759
Base-Backbone interact. energy: -0.191
local terms energy: -90.955284
where:
bonds (distance) C4'-P energy: -27.391
bonds (distance) P-C4' energy: -28.316
flat angles C4'-P-C4' energy: -30.076
flat angles P-C4'-P energy: -4.419
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: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -143.976633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.976633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.976633 (E_RNA)
where:
Base-Base interactions energy: -46.119
where: short stacking energy: -39.190
Base-Backbone interact. energy: 1.405
local terms energy: -99.262410
where:
bonds (distance) C4'-P energy: -33.725
bonds (distance) P-C4' energy: -36.436
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: 3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -521.557906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.557906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.557906 (E_RNA)
where:
Base-Base interactions energy: -344.840
where: short stacking energy: -146.086
Base-Backbone interact. energy: -1.053
local terms energy: -175.664951
where:
bonds (distance) C4'-P energy: -30.337
bonds (distance) P-C4' energy: -38.593
flat angles C4'-P-C4' energy: -33.961
flat angles P-C4'-P energy: -28.648
tors. eta vs tors. theta energy: -44.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -542.039541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.039541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.039541 (E_RNA)
where:
Base-Base interactions energy: -356.004
where: short stacking energy: -177.267
Base-Backbone interact. energy: -0.286
local terms energy: -185.749192
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -33.546
flat angles C4'-P-C4' energy: -41.245
flat angles P-C4'-P energy: -22.751
tors. eta vs tors. theta energy: -59.907
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: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -484.192127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.192127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.192127 (E_RNA)
where:
Base-Base interactions energy: -320.142
where: short stacking energy: -140.471
Base-Backbone interact. energy: -0.841
local terms energy: -163.209541
where:
bonds (distance) C4'-P energy: -29.610
bonds (distance) P-C4' energy: -29.879
flat angles C4'-P-C4' energy: -36.834
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: -42.529
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: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -479.531583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.531583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.531583 (E_RNA)
where:
Base-Base interactions energy: -316.436
where: short stacking energy: -127.982
Base-Backbone interact. energy: 0.852
local terms energy: -163.947217
where:
bonds (distance) C4'-P energy: -36.154
bonds (distance) P-C4' energy: -35.046
flat angles C4'-P-C4' energy: -34.927
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -34.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -423.144230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.144230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.144230 (E_RNA)
where:
Base-Base interactions energy: -272.372
where: short stacking energy: -113.034
Base-Backbone interact. energy: -0.215
local terms energy: -150.557995
where:
bonds (distance) C4'-P energy: -29.240
bonds (distance) P-C4' energy: -31.316
flat angles C4'-P-C4' energy: -33.023
flat angles P-C4'-P energy: -20.215
tors. eta vs tors. theta energy: -36.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -296.267459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.267459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.267459 (E_RNA)
where:
Base-Base interactions energy: -147.915
where: short stacking energy: -91.192
Base-Backbone interact. energy: 0.184
local terms energy: -148.536651
where:
bonds (distance) C4'-P energy: -29.855
bonds (distance) P-C4' energy: -35.395
flat angles C4'-P-C4' energy: -35.122
flat angles P-C4'-P energy: -25.088
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: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -211.553826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.553826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.553826 (E_RNA)
where:
Base-Base interactions energy: -88.053
where: short stacking energy: -65.667
Base-Backbone interact. energy: -0.235
local terms energy: -123.266299
where:
bonds (distance) C4'-P energy: -37.077
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -28.006
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -209.146000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.146000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.146000 (E_RNA)
where:
Base-Base interactions energy: -89.215
where: short stacking energy: -55.685
Base-Backbone interact. energy: -0.920
local terms energy: -119.010824
where:
bonds (distance) C4'-P energy: -34.940
bonds (distance) P-C4' energy: -25.919
flat angles C4'-P-C4' energy: -30.019
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -6.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -166.135732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.135732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.135732 (E_RNA)
where:
Base-Base interactions energy: -53.371
where: short stacking energy: -45.974
Base-Backbone interact. energy: -0.904
local terms energy: -111.861618
where:
bonds (distance) C4'-P energy: -35.198
bonds (distance) P-C4' energy: -34.471
flat angles C4'-P-C4' energy: -24.590
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: 2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -146.522617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.522617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.522617 (E_RNA)
where:
Base-Base interactions energy: -38.206
where: short stacking energy: -36.212
Base-Backbone interact. energy: 0.032
local terms energy: -108.348377
where:
bonds (distance) C4'-P energy: -31.231
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -29.100
tors. eta vs tors. theta energy: 1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -544.982284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.982284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.982284 (E_RNA)
where:
Base-Base interactions energy: -362.721
where: short stacking energy: -153.631
Base-Backbone interact. energy: -0.890
local terms energy: -181.371279
where:
bonds (distance) C4'-P energy: -32.778
bonds (distance) P-C4' energy: -37.481
flat angles C4'-P-C4' energy: -35.856
flat angles P-C4'-P energy: -26.506
tors. eta vs tors. theta energy: -48.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -548.768874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.768874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.768874 (E_RNA)
where:
Base-Base interactions energy: -357.830
where: short stacking energy: -181.525
Base-Backbone interact. energy: -0.355
local terms energy: -190.583533
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -37.951
flat angles P-C4'-P energy: -29.661
tors. eta vs tors. theta energy: -55.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -505.683018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.683018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.683018 (E_RNA)
where:
Base-Base interactions energy: -331.281
where: short stacking energy: -145.294
Base-Backbone interact. energy: -2.044
local terms energy: -172.357303
where:
bonds (distance) C4'-P energy: -31.146
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -48.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -478.603159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.603159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.603159 (E_RNA)
where:
Base-Base interactions energy: -318.985
where: short stacking energy: -132.063
Base-Backbone interact. energy: -0.342
local terms energy: -159.275608
where:
bonds (distance) C4'-P energy: -35.599
bonds (distance) P-C4' energy: -29.937
flat angles C4'-P-C4' energy: -29.537
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: -35.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -423.530783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.530783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.530783 (E_RNA)
where:
Base-Base interactions energy: -278.272
where: short stacking energy: -119.605
Base-Backbone interact. energy: 0.686
local terms energy: -145.944833
where:
bonds (distance) C4'-P energy: -31.015
bonds (distance) P-C4' energy: -35.020
flat angles C4'-P-C4' energy: -30.298
flat angles P-C4'-P energy: -20.835
tors. eta vs tors. theta energy: -28.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -289.494654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.494654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.494654 (E_RNA)
where:
Base-Base interactions energy: -153.846
where: short stacking energy: -92.102
Base-Backbone interact. energy: -0.378
local terms energy: -135.270835
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -25.866
flat angles C4'-P-C4' energy: -37.811
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -203.365965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.365965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.365965 (E_RNA)
where:
Base-Base interactions energy: -95.160
where: short stacking energy: -79.211
Base-Backbone interact. energy: -0.303
local terms energy: -107.903276
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -26.749
flat angles C4'-P-C4' energy: -28.428
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -192.575253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.575253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.575253 (E_RNA)
where:
Base-Base interactions energy: -101.086
where: short stacking energy: -56.627
Base-Backbone interact. energy: 1.017
local terms energy: -92.506789
where:
bonds (distance) C4'-P energy: -30.531
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -18.280
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: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -158.152971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.152971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.152971 (E_RNA)
where:
Base-Base interactions energy: -55.648
where: short stacking energy: -43.722
Base-Backbone interact. energy: -0.654
local terms energy: -101.850467
where:
bonds (distance) C4'-P energy: -26.757
bonds (distance) P-C4' energy: -41.542
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: 2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -153.960255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.960255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.960255 (E_RNA)
where:
Base-Base interactions energy: -64.561
where: short stacking energy: -44.557
Base-Backbone interact. energy: 1.161
local terms energy: -90.560192
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -31.307
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: 0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -548.371560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.371560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.371560 (E_RNA)
where:
Base-Base interactions energy: -371.670
where: short stacking energy: -151.600
Base-Backbone interact. energy: -0.676
local terms energy: -176.025375
where:
bonds (distance) C4'-P energy: -36.943
bonds (distance) P-C4' energy: -35.421
flat angles C4'-P-C4' energy: -34.156
flat angles P-C4'-P energy: -22.784
tors. eta vs tors. theta energy: -46.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -535.052518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.052518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.052518 (E_RNA)
where:
Base-Base interactions energy: -338.700
where: short stacking energy: -168.512
Base-Backbone interact. energy: -0.008
local terms energy: -196.345264
where:
bonds (distance) C4'-P energy: -34.997
bonds (distance) P-C4' energy: -34.625
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -29.140
tors. eta vs tors. theta energy: -60.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -515.634170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.634170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.634170 (E_RNA)
where:
Base-Base interactions energy: -341.541
where: short stacking energy: -144.048
Base-Backbone interact. energy: 0.942
local terms energy: -175.035130
where:
bonds (distance) C4'-P energy: -36.185
bonds (distance) P-C4' energy: -38.019
flat angles C4'-P-C4' energy: -40.306
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -45.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -451.898535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.898535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.898535 (E_RNA)
where:
Base-Base interactions energy: -300.284
where: short stacking energy: -117.295
Base-Backbone interact. energy: 0.610
local terms energy: -152.224959
where:
bonds (distance) C4'-P energy: -30.865
bonds (distance) P-C4' energy: -34.774
flat angles C4'-P-C4' energy: -30.185
flat angles P-C4'-P energy: -26.178
tors. eta vs tors. theta energy: -30.222
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: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -394.588384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.588384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.588384 (E_RNA)
where:
Base-Base interactions energy: -262.864
where: short stacking energy: -104.236
Base-Backbone interact. energy: -0.145
local terms energy: -131.579264
where:
bonds (distance) C4'-P energy: -25.265
bonds (distance) P-C4' energy: -31.931
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -16.043
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: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -275.695100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.695100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.695100 (E_RNA)
where:
Base-Base interactions energy: -145.047
where: short stacking energy: -88.405
Base-Backbone interact. energy: -0.208
local terms energy: -130.439680
where:
bonds (distance) C4'-P energy: -28.003
bonds (distance) P-C4' energy: -30.477
flat angles C4'-P-C4' energy: -33.610
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: -15.258
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: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -275.189977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.189977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.189977 (E_RNA)
where:
Base-Base interactions energy: -157.750
where: short stacking energy: -81.492
Base-Backbone interact. energy: 4.336
local terms energy: -121.775989
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -34.357
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -167.452217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.452217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.452217 (E_RNA)
where:
Base-Base interactions energy: -64.013
where: short stacking energy: -63.900
Base-Backbone interact. energy: 1.853
local terms energy: -105.292206
where:
bonds (distance) C4'-P energy: -29.656
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -33.137
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -201.520889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.520889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.520889 (E_RNA)
where:
Base-Base interactions energy: -101.997
where: short stacking energy: -55.210
Base-Backbone interact. energy: 0.035
local terms energy: -99.558683
where:
bonds (distance) C4'-P energy: -31.098
bonds (distance) P-C4' energy: -28.597
flat angles C4'-P-C4' energy: -28.648
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: 5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -140.667694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.667694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.667694 (E_RNA)
where:
Base-Base interactions energy: -38.345
where: short stacking energy: -30.450
Base-Backbone interact. energy: -0.389
local terms energy: -101.934118
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -32.531
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: 2.022
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: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -546.759387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.759387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.759387 (E_RNA)
where:
Base-Base interactions energy: -378.162
where: short stacking energy: -136.073
Base-Backbone interact. energy: 0.946
local terms energy: -169.542990
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -33.734
flat angles C4'-P-C4' energy: -36.511
flat angles P-C4'-P energy: -25.757
tors. eta vs tors. theta energy: -43.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -494.930239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.930239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.930239 (E_RNA)
where:
Base-Base interactions energy: -322.101
where: short stacking energy: -147.749
Base-Backbone interact. energy: -0.134
local terms energy: -172.694580
where:
bonds (distance) C4'-P energy: -30.455
bonds (distance) P-C4' energy: -28.573
flat angles C4'-P-C4' energy: -39.132
flat angles P-C4'-P energy: -24.175
tors. eta vs tors. theta energy: -50.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -516.951177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.951177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.951177 (E_RNA)
where:
Base-Base interactions energy: -336.282
where: short stacking energy: -147.180
Base-Backbone interact. energy: -0.390
local terms energy: -180.278753
where:
bonds (distance) C4'-P energy: -39.410
bonds (distance) P-C4' energy: -35.037
flat angles C4'-P-C4' energy: -38.498
flat angles P-C4'-P energy: -24.118
tors. eta vs tors. theta energy: -43.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -450.083294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.083294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.083294 (E_RNA)
where:
Base-Base interactions energy: -291.997
where: short stacking energy: -130.971
Base-Backbone interact. energy: -0.869
local terms energy: -157.216826
where:
bonds (distance) C4'-P energy: -26.053
bonds (distance) P-C4' energy: -33.410
flat angles C4'-P-C4' energy: -36.379
flat angles P-C4'-P energy: -25.995
tors. eta vs tors. theta energy: -35.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -379.607114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.607114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.607114 (E_RNA)
where:
Base-Base interactions energy: -237.774
where: short stacking energy: -103.866
Base-Backbone interact. energy: 1.680
local terms energy: -143.513296
where:
bonds (distance) C4'-P energy: -30.968
bonds (distance) P-C4' energy: -32.408
flat angles C4'-P-C4' energy: -32.614
flat angles P-C4'-P energy: -22.084
tors. eta vs tors. theta energy: -25.439
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: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -273.470880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.470880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.470880 (E_RNA)
where:
Base-Base interactions energy: -161.487
where: short stacking energy: -83.795
Base-Backbone interact. energy: -0.519
local terms energy: -111.464951
where:
bonds (distance) C4'-P energy: -25.015
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -30.209
flat angles P-C4'-P energy: -23.465
tors. eta vs tors. theta energy: -8.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -226.929416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.929416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.929416 (E_RNA)
where:
Base-Base interactions energy: -115.743
where: short stacking energy: -62.442
Base-Backbone interact. energy: -1.222
local terms energy: -109.964212
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -28.369
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -21.551
tors. eta vs tors. theta energy: -8.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -169.423722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.423722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.423722 (E_RNA)
where:
Base-Base interactions energy: -60.411
where: short stacking energy: -44.557
Base-Backbone interact. energy: -1.010
local terms energy: -108.002170
where:
bonds (distance) C4'-P energy: -31.404
bonds (distance) P-C4' energy: -30.242
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -155.109132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.109132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.109132 (E_RNA)
where:
Base-Base interactions energy: -58.421
where: short stacking energy: -45.977
Base-Backbone interact. energy: -0.512
local terms energy: -96.176179
where:
bonds (distance) C4'-P energy: -30.373
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -25.309
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -1.461
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: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -134.454328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.454328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.454328 (E_RNA)
where:
Base-Base interactions energy: -52.968
where: short stacking energy: -37.442
Base-Backbone interact. energy: 0.153
local terms energy: -81.639763
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -31.463
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -7.063
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: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -551.678345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.678345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.678345 (E_RNA)
where:
Base-Base interactions energy: -370.978
where: short stacking energy: -134.635
Base-Backbone interact. energy: -1.255
local terms energy: -179.445384
where:
bonds (distance) C4'-P energy: -42.622
bonds (distance) P-C4' energy: -33.232
flat angles C4'-P-C4' energy: -36.636
flat angles P-C4'-P energy: -24.723
tors. eta vs tors. theta energy: -42.232
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: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -518.186183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.186183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.186183 (E_RNA)
where:
Base-Base interactions energy: -328.608
where: short stacking energy: -164.781
Base-Backbone interact. energy: -0.065
local terms energy: -189.512674
where:
bonds (distance) C4'-P energy: -34.481
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -39.284
flat angles P-C4'-P energy: -24.341
tors. eta vs tors. theta energy: -58.033
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: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -472.973393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.973393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.973393 (E_RNA)
where:
Base-Base interactions energy: -305.412
where: short stacking energy: -126.139
Base-Backbone interact. energy: -0.856
local terms energy: -166.705450
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -32.629
flat angles C4'-P-C4' energy: -37.626
flat angles P-C4'-P energy: -25.762
tors. eta vs tors. theta energy: -38.828
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: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -444.834578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.834578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.834578 (E_RNA)
where:
Base-Base interactions energy: -284.487
where: short stacking energy: -129.875
Base-Backbone interact. energy: 3.804
local terms energy: -164.151152
where:
bonds (distance) C4'-P energy: -36.364
bonds (distance) P-C4' energy: -33.055
flat angles C4'-P-C4' energy: -31.681
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -39.358
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: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -386.004139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.004139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.004139 (E_RNA)
where:
Base-Base interactions energy: -239.835
where: short stacking energy: -111.976
Base-Backbone interact. energy: 0.205
local terms energy: -146.373612
where:
bonds (distance) C4'-P energy: -35.339
bonds (distance) P-C4' energy: -30.757
flat angles C4'-P-C4' energy: -35.709
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -29.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -307.052414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.052414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.052414 (E_RNA)
where:
Base-Base interactions energy: -166.195
where: short stacking energy: -80.873
Base-Backbone interact. energy: -0.205
local terms energy: -140.651986
where:
bonds (distance) C4'-P energy: -34.413
bonds (distance) P-C4' energy: -36.358
flat angles C4'-P-C4' energy: -27.470
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -20.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -198.476103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.476103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.476103 (E_RNA)
where:
Base-Base interactions energy: -73.268
where: short stacking energy: -36.961
Base-Backbone interact. energy: -1.464
local terms energy: -123.743466
where:
bonds (distance) C4'-P energy: -32.118
bonds (distance) P-C4' energy: -37.899
flat angles C4'-P-C4' energy: -28.265
flat angles P-C4'-P energy: -27.073
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: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -156.977202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.977202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.977202 (E_RNA)
where:
Base-Base interactions energy: -41.633
where: short stacking energy: -27.765
Base-Backbone interact. energy: -1.805
local terms energy: -113.539550
where:
bonds (distance) C4'-P energy: -33.995
bonds (distance) P-C4' energy: -34.651
flat angles C4'-P-C4' energy: -31.833
flat angles P-C4'-P energy: -16.425
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: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -164.250995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.250995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.250995 (E_RNA)
where:
Base-Base interactions energy: -66.238
where: short stacking energy: -26.510
Base-Backbone interact. energy: -1.084
local terms energy: -96.928224
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -27.324
flat angles C4'-P-C4' energy: -27.787
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: 1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -154.915874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.915874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.915874 (E_RNA)
where:
Base-Base interactions energy: -62.376
where: short stacking energy: -54.678
Base-Backbone interact. energy: 0.485
local terms energy: -93.025077
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -29.315
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -549.853150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.853150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.853150 (E_RNA)
where:
Base-Base interactions energy: -376.180
where: short stacking energy: -160.435
Base-Backbone interact. energy: -0.635
local terms energy: -173.037765
where:
bonds (distance) C4'-P energy: -35.377
bonds (distance) P-C4' energy: -36.459
flat angles C4'-P-C4' energy: -37.911
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -52.065
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: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -531.858111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.858111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.858111 (E_RNA)
where:
Base-Base interactions energy: -330.294
where: short stacking energy: -164.321
Base-Backbone interact. energy: -0.004
local terms energy: -201.559704
where:
bonds (distance) C4'-P energy: -35.705
bonds (distance) P-C4' energy: -37.767
flat angles C4'-P-C4' energy: -43.395
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: -56.162
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: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -505.240238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.240238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.240238 (E_RNA)
where:
Base-Base interactions energy: -340.425
where: short stacking energy: -134.272
Base-Backbone interact. energy: -0.838
local terms energy: -163.977383
where:
bonds (distance) C4'-P energy: -25.698
bonds (distance) P-C4' energy: -32.552
flat angles C4'-P-C4' energy: -37.780
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -46.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -417.868900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.868900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.868900 (E_RNA)
where:
Base-Base interactions energy: -269.641
where: short stacking energy: -111.817
Base-Backbone interact. energy: -1.801
local terms energy: -146.427167
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -31.203
flat angles P-C4'-P energy: -24.359
tors. eta vs tors. theta energy: -26.912
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: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -396.651533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.651533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.651533 (E_RNA)
where:
Base-Base interactions energy: -251.094
where: short stacking energy: -110.904
Base-Backbone interact. energy: -1.255
local terms energy: -144.302351
where:
bonds (distance) C4'-P energy: -30.430
bonds (distance) P-C4' energy: -36.181
flat angles C4'-P-C4' energy: -31.563
flat angles P-C4'-P energy: -19.035
tors. eta vs tors. theta energy: -27.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -318.334112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.334112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.334112 (E_RNA)
where:
Base-Base interactions energy: -186.894
where: short stacking energy: -97.961
Base-Backbone interact. energy: 0.555
local terms energy: -131.995514
where:
bonds (distance) C4'-P energy: -30.850
bonds (distance) P-C4' energy: -28.862
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -28.268
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -181.971608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.971608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.971608 (E_RNA)
where:
Base-Base interactions energy: -77.028
where: short stacking energy: -42.162
Base-Backbone interact. energy: -0.463
local terms energy: -104.480683
where:
bonds (distance) C4'-P energy: -34.959
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: 5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -173.480000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.480000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.480000 (E_RNA)
where:
Base-Base interactions energy: -58.387
where: short stacking energy: -37.531
Base-Backbone interact. energy: 0.164
local terms energy: -115.256403
where:
bonds (distance) C4'-P energy: -37.771
bonds (distance) P-C4' energy: -35.740
flat angles C4'-P-C4' energy: -33.179
flat angles P-C4'-P energy: -21.494
tors. eta vs tors. theta energy: 12.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -152.880892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.880892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.880892 (E_RNA)
where:
Base-Base interactions energy: -51.079
where: short stacking energy: -43.603
Base-Backbone interact. energy: -0.115
local terms energy: -101.686890
where:
bonds (distance) C4'-P energy: -28.448
bonds (distance) P-C4' energy: -28.474
flat angles C4'-P-C4' energy: -28.221
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -156.958721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.958721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.958721 (E_RNA)
where:
Base-Base interactions energy: -52.416
where: short stacking energy: -39.979
Base-Backbone interact. energy: -2.501
local terms energy: -102.042005
where:
bonds (distance) C4'-P energy: -26.571
bonds (distance) P-C4' energy: -29.442
flat angles C4'-P-C4' energy: -26.817
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -544.014733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.014733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.014733 (E_RNA)
where:
Base-Base interactions energy: -358.983
where: short stacking energy: -150.458
Base-Backbone interact. energy: -1.211
local terms energy: -183.820155
where:
bonds (distance) C4'-P energy: -32.616
bonds (distance) P-C4' energy: -42.168
flat angles C4'-P-C4' energy: -37.641
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -48.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -520.483566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.483566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.483566 (E_RNA)
where:
Base-Base interactions energy: -323.534
where: short stacking energy: -162.272
Base-Backbone interact. energy: -0.009
local terms energy: -196.940565
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -34.285
flat angles C4'-P-C4' energy: -40.243
flat angles P-C4'-P energy: -27.751
tors. eta vs tors. theta energy: -58.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -493.729266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.729266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.729266 (E_RNA)
where:
Base-Base interactions energy: -329.219
where: short stacking energy: -132.670
Base-Backbone interact. energy: 1.216
local terms energy: -165.726810
where:
bonds (distance) C4'-P energy: -33.479
bonds (distance) P-C4' energy: -36.419
flat angles C4'-P-C4' energy: -28.990
flat angles P-C4'-P energy: -22.016
tors. eta vs tors. theta energy: -44.824
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: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -428.367969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.367969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.367969 (E_RNA)
where:
Base-Base interactions energy: -277.118
where: short stacking energy: -124.566
Base-Backbone interact. energy: -0.314
local terms energy: -150.935791
where:
bonds (distance) C4'-P energy: -23.396
bonds (distance) P-C4' energy: -36.976
flat angles C4'-P-C4' energy: -34.267
flat angles P-C4'-P energy: -24.485
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: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -301.965256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.965256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.965256 (E_RNA)
where:
Base-Base interactions energy: -174.843
where: short stacking energy: -94.972
Base-Backbone interact. energy: -0.332
local terms energy: -126.789536
where:
bonds (distance) C4'-P energy: -32.392
bonds (distance) P-C4' energy: -26.154
flat angles C4'-P-C4' energy: -28.680
flat angles P-C4'-P energy: -16.857
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: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -399.329381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.329381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.329381 (E_RNA)
where:
Base-Base interactions energy: -253.301
where: short stacking energy: -115.616
Base-Backbone interact. energy: -0.407
local terms energy: -145.621060
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -34.132
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -35.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -192.477127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.477127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.477127 (E_RNA)
where:
Base-Base interactions energy: -79.321
where: short stacking energy: -46.774
Base-Backbone interact. energy: -0.401
local terms energy: -112.756076
where:
bonds (distance) C4'-P energy: -36.446
bonds (distance) P-C4' energy: -31.793
flat angles C4'-P-C4' energy: -34.137
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: 3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -165.983355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.983355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.983355 (E_RNA)
where:
Base-Base interactions energy: -64.421
where: short stacking energy: -51.279
Base-Backbone interact. energy: -0.499
local terms energy: -101.064190
where:
bonds (distance) C4'-P energy: -29.740
bonds (distance) P-C4' energy: -31.844
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -15.880
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: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -153.752224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.752224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.752224 (E_RNA)
where:
Base-Base interactions energy: -48.943
where: short stacking energy: -41.580
Base-Backbone interact. energy: 0.367
local terms energy: -105.175803
where:
bonds (distance) C4'-P energy: -28.568
bonds (distance) P-C4' energy: -42.010
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: 0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -169.287546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.287546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.287546 (E_RNA)
where:
Base-Base interactions energy: -75.470
where: short stacking energy: -46.808
Base-Backbone interact. energy: -0.915
local terms energy: -92.902509
where:
bonds (distance) C4'-P energy: -31.796
bonds (distance) P-C4' energy: -36.170
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -8.196
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: 103
Temperature: 0.900000
Total energy: -570.201394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.201394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.201394 (E_RNA)
where:
Base-Base interactions energy: -395.772
where: short stacking energy: -140.896
Base-Backbone interact. energy: 2.401
local terms energy: -176.829965
where:
bonds (distance) C4'-P energy: -36.545
bonds (distance) P-C4' energy: -37.679
flat angles C4'-P-C4' energy: -36.698
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -44.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -530.312925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.312925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.312925 (E_RNA)
where:
Base-Base interactions energy: -345.500
where: short stacking energy: -168.113
Base-Backbone interact. energy: -0.099
local terms energy: -184.714454
where:
bonds (distance) C4'-P energy: -30.755
bonds (distance) P-C4' energy: -32.915
flat angles C4'-P-C4' energy: -38.309
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -59.791
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: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -489.555935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.555935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.555935 (E_RNA)
where:
Base-Base interactions energy: -333.417
where: short stacking energy: -151.117
Base-Backbone interact. energy: -0.236
local terms energy: -155.903523
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -32.801
flat angles C4'-P-C4' energy: -32.559
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -49.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -431.571574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.571574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.571574 (E_RNA)
where:
Base-Base interactions energy: -296.016
where: short stacking energy: -119.809
Base-Backbone interact. energy: -0.447
local terms energy: -135.107928
where:
bonds (distance) C4'-P energy: -30.903
bonds (distance) P-C4' energy: -34.200
flat angles C4'-P-C4' energy: -25.721
flat angles P-C4'-P energy: -20.573
tors. eta vs tors. theta energy: -23.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -355.621119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.621119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.621119 (E_RNA)
where:
Base-Base interactions energy: -213.172
where: short stacking energy: -92.766
Base-Backbone interact. energy: -0.417
local terms energy: -142.032260
where:
bonds (distance) C4'-P energy: -34.550
bonds (distance) P-C4' energy: -30.739
flat angles C4'-P-C4' energy: -37.260
flat angles P-C4'-P energy: -13.876
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: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -338.416438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.416438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.416438 (E_RNA)
where:
Base-Base interactions energy: -212.656
where: short stacking energy: -94.281
Base-Backbone interact. energy: -1.073
local terms energy: -124.686740
where:
bonds (distance) C4'-P energy: -25.451
bonds (distance) P-C4' energy: -32.348
flat angles C4'-P-C4' energy: -33.248
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -202.720480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.720480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.720480 (E_RNA)
where:
Base-Base interactions energy: -97.520
where: short stacking energy: -57.765
Base-Backbone interact. energy: -1.301
local terms energy: -103.899979
where:
bonds (distance) C4'-P energy: -35.797
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -168.717328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.717328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.717328 (E_RNA)
where:
Base-Base interactions energy: -73.721
where: short stacking energy: -48.597
Base-Backbone interact. energy: 0.480
local terms energy: -95.476530
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -17.326
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -165.594405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.594405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.594405 (E_RNA)
where:
Base-Base interactions energy: -64.436
where: short stacking energy: -48.502
Base-Backbone interact. energy: -0.184
local terms energy: -100.975038
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -27.752
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -181.416848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.416848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.416848 (E_RNA)
where:
Base-Base interactions energy: -77.029
where: short stacking energy: -50.551
Base-Backbone interact. energy: -0.695
local terms energy: -103.692569
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -32.391
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -23.145
tors. eta vs tors. theta energy: 1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -559.852878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.852878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.852878 (E_RNA)
where:
Base-Base interactions energy: -388.620
where: short stacking energy: -159.746
Base-Backbone interact. energy: 3.609
local terms energy: -174.842025
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -37.840
flat angles C4'-P-C4' energy: -35.111
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -50.480
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: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -526.613423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.613423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.613423 (E_RNA)
where:
Base-Base interactions energy: -336.615
where: short stacking energy: -156.621
Base-Backbone interact. energy: -0.106
local terms energy: -189.893333
where:
bonds (distance) C4'-P energy: -33.633
bonds (distance) P-C4' energy: -38.532
flat angles C4'-P-C4' energy: -36.801
flat angles P-C4'-P energy: -26.374
tors. eta vs tors. theta energy: -54.553
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: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -499.351299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.351299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.351299 (E_RNA)
where:
Base-Base interactions energy: -323.583
where: short stacking energy: -140.879
Base-Backbone interact. energy: -0.338
local terms energy: -175.430529
where:
bonds (distance) C4'-P energy: -28.153
bonds (distance) P-C4' energy: -38.716
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -24.092
tors. eta vs tors. theta energy: -48.852
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: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -440.624461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.624461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.624461 (E_RNA)
where:
Base-Base interactions energy: -296.275
where: short stacking energy: -111.046
Base-Backbone interact. energy: -1.508
local terms energy: -142.841073
where:
bonds (distance) C4'-P energy: -30.348
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -34.186
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -31.972
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: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -338.890723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.890723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.890723 (E_RNA)
where:
Base-Base interactions energy: -189.594
where: short stacking energy: -112.857
Base-Backbone interact. energy: -0.113
local terms energy: -149.183529
where:
bonds (distance) C4'-P energy: -33.704
bonds (distance) P-C4' energy: -30.797
flat angles C4'-P-C4' energy: -35.029
flat angles P-C4'-P energy: -24.060
tors. eta vs tors. theta energy: -25.593
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: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -328.007694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.007694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.007694 (E_RNA)
where:
Base-Base interactions energy: -196.346
where: short stacking energy: -91.209
Base-Backbone interact. energy: -0.554
local terms energy: -131.107818
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -28.516
flat angles C4'-P-C4' energy: -31.987
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -20.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -205.651651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.651651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.651651 (E_RNA)
where:
Base-Base interactions energy: -110.458
where: short stacking energy: -64.585
Base-Backbone interact. energy: -1.661
local terms energy: -93.532607
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -27.183
flat angles C4'-P-C4' energy: -28.465
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -184.719678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.719678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.719678 (E_RNA)
where:
Base-Base interactions energy: -57.113
where: short stacking energy: -40.501
Base-Backbone interact. energy: -1.185
local terms energy: -126.420989
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -36.006
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -27.574
tors. eta vs tors. theta energy: -8.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -165.232571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.232571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.232571 (E_RNA)
where:
Base-Base interactions energy: -60.117
where: short stacking energy: -30.276
Base-Backbone interact. energy: 2.642
local terms energy: -107.757539
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -35.709
flat angles C4'-P-C4' energy: -33.370
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: 7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -148.505908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.505908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.505908 (E_RNA)
where:
Base-Base interactions energy: -50.785
where: short stacking energy: -32.830
Base-Backbone interact. energy: 2.679
local terms energy: -100.400146
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: 1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -545.379847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.379847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.379847 (E_RNA)
where:
Base-Base interactions energy: -364.120
where: short stacking energy: -148.393
Base-Backbone interact. energy: -0.658
local terms energy: -180.602409
where:
bonds (distance) C4'-P energy: -38.057
bonds (distance) P-C4' energy: -34.194
flat angles C4'-P-C4' energy: -37.078
flat angles P-C4'-P energy: -23.848
tors. eta vs tors. theta energy: -47.425
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: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -535.823037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.823037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.823037 (E_RNA)
where:
Base-Base interactions energy: -346.607
where: short stacking energy: -163.828
Base-Backbone interact. energy: -0.343
local terms energy: -188.873044
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -37.670
flat angles C4'-P-C4' energy: -35.708
flat angles P-C4'-P energy: -29.503
tors. eta vs tors. theta energy: -56.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -495.413806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.413806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.413806 (E_RNA)
where:
Base-Base interactions energy: -327.661
where: short stacking energy: -134.730
Base-Backbone interact. energy: -0.880
local terms energy: -166.872547
where:
bonds (distance) C4'-P energy: -36.414
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -40.126
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -40.601
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: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -456.048667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.048667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.048667 (E_RNA)
where:
Base-Base interactions energy: -304.525
where: short stacking energy: -122.032
Base-Backbone interact. energy: 1.115
local terms energy: -152.639468
where:
bonds (distance) C4'-P energy: -31.833
bonds (distance) P-C4' energy: -30.189
flat angles C4'-P-C4' energy: -32.622
flat angles P-C4'-P energy: -27.861
tors. eta vs tors. theta energy: -30.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -351.942378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.942378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.942378 (E_RNA)
where:
Base-Base interactions energy: -192.537
where: short stacking energy: -102.799
Base-Backbone interact. energy: -0.248
local terms energy: -159.157766
where:
bonds (distance) C4'-P energy: -32.873
bonds (distance) P-C4' energy: -35.724
flat angles C4'-P-C4' energy: -36.483
flat angles P-C4'-P energy: -26.439
tors. eta vs tors. theta energy: -27.638
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: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -349.873117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.873117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.873117 (E_RNA)
where:
Base-Base interactions energy: -203.562
where: short stacking energy: -92.926
Base-Backbone interact. energy: -0.366
local terms energy: -145.945288
where:
bonds (distance) C4'-P energy: -34.202
bonds (distance) P-C4' energy: -33.860
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -24.651
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: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -201.655521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.655521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.655521 (E_RNA)
where:
Base-Base interactions energy: -90.276
where: short stacking energy: -44.467
Base-Backbone interact. energy: -1.039
local terms energy: -110.340701
where:
bonds (distance) C4'-P energy: -25.407
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -27.052
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -174.467674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.467674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.467674 (E_RNA)
where:
Base-Base interactions energy: -47.418
where: short stacking energy: -46.480
Base-Backbone interact. energy: -1.069
local terms energy: -125.981308
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -39.299
flat angles C4'-P-C4' energy: -26.238
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -160.450521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.450521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.450521 (E_RNA)
where:
Base-Base interactions energy: -68.702
where: short stacking energy: -42.951
Base-Backbone interact. energy: 3.054
local terms energy: -94.802574
where:
bonds (distance) C4'-P energy: -26.898
bonds (distance) P-C4' energy: -24.123
flat angles C4'-P-C4' energy: -34.577
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: 4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -146.830082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.830082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.830082 (E_RNA)
where:
Base-Base interactions energy: -56.240
where: short stacking energy: -41.221
Base-Backbone interact. energy: 2.623
local terms energy: -93.213958
where:
bonds (distance) C4'-P energy: -26.350
bonds (distance) P-C4' energy: -30.477
flat angles C4'-P-C4' energy: -33.550
flat angles P-C4'-P energy: -10.398
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: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -533.813120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.813120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.813120 (E_RNA)
where:
Base-Base interactions energy: -351.738
where: short stacking energy: -162.892
Base-Backbone interact. energy: -0.013
local terms energy: -182.062002
where:
bonds (distance) C4'-P energy: -30.530
bonds (distance) P-C4' energy: -37.286
flat angles C4'-P-C4' energy: -37.676
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -56.702
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: 106
Temperature: 0.950000
Total energy: -540.947587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.947587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.947587 (E_RNA)
where:
Base-Base interactions energy: -367.398
where: short stacking energy: -146.954
Base-Backbone interact. energy: -0.764
local terms energy: -172.785307
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -29.897
flat angles C4'-P-C4' energy: -39.333
flat angles P-C4'-P energy: -24.479
tors. eta vs tors. theta energy: -47.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -489.352203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.352203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.352203 (E_RNA)
where:
Base-Base interactions energy: -332.990
where: short stacking energy: -145.191
Base-Backbone interact. energy: 0.677
local terms energy: -157.038429
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -32.790
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -45.594
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: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -492.413683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.413683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.413683 (E_RNA)
where:
Base-Base interactions energy: -342.234
where: short stacking energy: -137.331
Base-Backbone interact. energy: 0.464
local terms energy: -150.643981
where:
bonds (distance) C4'-P energy: -34.716
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -32.308
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -31.538
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: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -366.594159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.594159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.594159 (E_RNA)
where:
Base-Base interactions energy: -232.607
where: short stacking energy: -102.967
Base-Backbone interact. energy: 5.006
local terms energy: -138.993126
where:
bonds (distance) C4'-P energy: -26.430
bonds (distance) P-C4' energy: -34.385
flat angles C4'-P-C4' energy: -37.463
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -297.500374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.500374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.500374 (E_RNA)
where:
Base-Base interactions energy: -160.263
where: short stacking energy: -91.493
Base-Backbone interact. energy: 0.709
local terms energy: -137.946771
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -35.924
flat angles C4'-P-C4' energy: -33.147
flat angles P-C4'-P energy: -24.287
tors. eta vs tors. theta energy: -22.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -208.786607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.786607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.786607 (E_RNA)
where:
Base-Base interactions energy: -94.838
where: short stacking energy: -54.451
Base-Backbone interact. energy: 1.477
local terms energy: -115.425252
where:
bonds (distance) C4'-P energy: -34.211
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -171.891398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.891398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.891398 (E_RNA)
where:
Base-Base interactions energy: -57.454
where: short stacking energy: -41.644
Base-Backbone interact. energy: 1.235
local terms energy: -115.672523
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -28.468
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: -0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -169.762551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.762551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.762551 (E_RNA)
where:
Base-Base interactions energy: -67.568
where: short stacking energy: -35.796
Base-Backbone interact. energy: 0.126
local terms energy: -102.320306
where:
bonds (distance) C4'-P energy: -29.516
bonds (distance) P-C4' energy: -34.463
flat angles C4'-P-C4' energy: -27.345
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -144.017102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.017102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.017102 (E_RNA)
where:
Base-Base interactions energy: -52.354
where: short stacking energy: -48.149
Base-Backbone interact. energy: 0.111
local terms energy: -91.774346
where:
bonds (distance) C4'-P energy: -22.968
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -21.645
tors. eta vs tors. theta energy: 2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -547.500927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.500927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.500927 (E_RNA)
where:
Base-Base interactions energy: -351.618
where: short stacking energy: -167.299
Base-Backbone interact. energy: -0.024
local terms energy: -195.858556
where:
bonds (distance) C4'-P energy: -28.002
bonds (distance) P-C4' energy: -40.994
flat angles C4'-P-C4' energy: -38.906
flat angles P-C4'-P energy: -29.477
tors. eta vs tors. theta energy: -58.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -530.054878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.054878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.054878 (E_RNA)
where:
Base-Base interactions energy: -354.061
where: short stacking energy: -155.410
Base-Backbone interact. energy: -0.952
local terms energy: -175.041429
where:
bonds (distance) C4'-P energy: -30.837
bonds (distance) P-C4' energy: -36.691
flat angles C4'-P-C4' energy: -39.505
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -48.280
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: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -496.519718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.519718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.519718 (E_RNA)
where:
Base-Base interactions energy: -344.366
where: short stacking energy: -128.607
Base-Backbone interact. energy: 0.193
local terms energy: -152.346643
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -37.613
flat angles C4'-P-C4' energy: -35.970
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -42.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -467.122851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.122851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.122851 (E_RNA)
where:
Base-Base interactions energy: -309.901
where: short stacking energy: -124.511
Base-Backbone interact. energy: -1.349
local terms energy: -155.872092
where:
bonds (distance) C4'-P energy: -28.600
bonds (distance) P-C4' energy: -34.023
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: -40.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -366.647248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.647248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.647248 (E_RNA)
where:
Base-Base interactions energy: -235.920
where: short stacking energy: -103.205
Base-Backbone interact. energy: 1.103
local terms energy: -131.830820
where:
bonds (distance) C4'-P energy: -26.884
bonds (distance) P-C4' energy: -33.965
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -20.489
tors. eta vs tors. theta energy: -24.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -271.273866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.273866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.273866 (E_RNA)
where:
Base-Base interactions energy: -139.646
where: short stacking energy: -82.646
Base-Backbone interact. energy: -0.896
local terms energy: -130.731492
where:
bonds (distance) C4'-P energy: -38.380
bonds (distance) P-C4' energy: -31.720
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -24.545
tors. eta vs tors. theta energy: -12.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -200.680130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.680130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.680130 (E_RNA)
where:
Base-Base interactions energy: -101.989
where: short stacking energy: -57.381
Base-Backbone interact. energy: -0.897
local terms energy: -97.794463
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -174.220116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.220116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.220116 (E_RNA)
where:
Base-Base interactions energy: -64.055
where: short stacking energy: -34.032
Base-Backbone interact. energy: -1.652
local terms energy: -108.512814
where:
bonds (distance) C4'-P energy: -31.527
bonds (distance) P-C4' energy: -39.355
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -16.021
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: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -154.647621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.647621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.647621 (E_RNA)
where:
Base-Base interactions energy: -55.769
where: short stacking energy: -27.288
Base-Backbone interact. energy: -1.859
local terms energy: -97.019326
where:
bonds (distance) C4'-P energy: -30.334
bonds (distance) P-C4' energy: -35.861
flat angles C4'-P-C4' energy: -29.671
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: 11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -147.719551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.719551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.719551 (E_RNA)
where:
Base-Base interactions energy: -46.611
where: short stacking energy: -32.128
Base-Backbone interact. energy: -0.409
local terms energy: -100.699259
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -36.017
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -549.408895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.408895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.408895 (E_RNA)
where:
Base-Base interactions energy: -362.206
where: short stacking energy: -156.407
Base-Backbone interact. energy: -0.598
local terms energy: -186.604647
where:
bonds (distance) C4'-P energy: -36.456
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -41.411
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: -51.566
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: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -536.669704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.669704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.669704 (E_RNA)
where:
Base-Base interactions energy: -345.362
where: short stacking energy: -163.591
Base-Backbone interact. energy: -0.262
local terms energy: -191.045910
where:
bonds (distance) C4'-P energy: -38.821
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -38.391
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: -57.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -484.582454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.582454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.582454 (E_RNA)
where:
Base-Base interactions energy: -313.208
where: short stacking energy: -123.401
Base-Backbone interact. energy: -0.537
local terms energy: -170.837934
where:
bonds (distance) C4'-P energy: -37.174
bonds (distance) P-C4' energy: -36.706
flat angles C4'-P-C4' energy: -32.430
flat angles P-C4'-P energy: -24.461
tors. eta vs tors. theta energy: -40.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -477.141040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.141040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.141040 (E_RNA)
where:
Base-Base interactions energy: -330.361
where: short stacking energy: -131.047
Base-Backbone interact. energy: -1.392
local terms energy: -145.388059
where:
bonds (distance) C4'-P energy: -31.460
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -34.605
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -35.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -400.308341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.308341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.308341 (E_RNA)
where:
Base-Base interactions energy: -242.953
where: short stacking energy: -108.435
Base-Backbone interact. energy: -0.217
local terms energy: -157.138881
where:
bonds (distance) C4'-P energy: -26.426
bonds (distance) P-C4' energy: -36.477
flat angles C4'-P-C4' energy: -40.148
flat angles P-C4'-P energy: -21.124
tors. eta vs tors. theta energy: -32.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -300.130539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.130539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.130539 (E_RNA)
where:
Base-Base interactions energy: -178.752
where: short stacking energy: -85.947
Base-Backbone interact. energy: -0.616
local terms energy: -120.762852
where:
bonds (distance) C4'-P energy: -33.472
bonds (distance) P-C4' energy: -30.553
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -182.244631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.244631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.244631 (E_RNA)
where:
Base-Base interactions energy: -75.243
where: short stacking energy: -39.934
Base-Backbone interact. energy: -0.512
local terms energy: -106.489980
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -36.358
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -23.372
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: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -162.518271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.518271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.518271 (E_RNA)
where:
Base-Base interactions energy: -62.492
where: short stacking energy: -40.983
Base-Backbone interact. energy: -0.786
local terms energy: -99.239983
where:
bonds (distance) C4'-P energy: -29.070
bonds (distance) P-C4' energy: -26.718
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: 1.163
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: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -155.881147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.881147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.881147 (E_RNA)
where:
Base-Base interactions energy: -58.889
where: short stacking energy: -42.880
Base-Backbone interact. energy: 0.243
local terms energy: -97.235418
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -34.267
flat angles C4'-P-C4' energy: -26.375
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -156.788044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.788044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.788044 (E_RNA)
where:
Base-Base interactions energy: -49.321
where: short stacking energy: -34.653
Base-Backbone interact. energy: -0.381
local terms energy: -107.086190
where:
bonds (distance) C4'-P energy: -30.994
bonds (distance) P-C4' energy: -35.899
flat angles C4'-P-C4' energy: -33.302
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: 2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -537.239449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.239449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.239449 (E_RNA)
where:
Base-Base interactions energy: -351.660
where: short stacking energy: -153.112
Base-Backbone interact. energy: 0.154
local terms energy: -185.733879
where:
bonds (distance) C4'-P energy: -37.830
bonds (distance) P-C4' energy: -36.998
flat angles C4'-P-C4' energy: -36.820
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -50.133
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: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -529.170100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.170100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.170100 (E_RNA)
where:
Base-Base interactions energy: -336.356
where: short stacking energy: -165.903
Base-Backbone interact. energy: -1.209
local terms energy: -191.605160
where:
bonds (distance) C4'-P energy: -35.323
bonds (distance) P-C4' energy: -40.909
flat angles C4'-P-C4' energy: -40.481
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -57.223
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: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -484.866324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.866324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.866324 (E_RNA)
where:
Base-Base interactions energy: -313.616
where: short stacking energy: -136.385
Base-Backbone interact. energy: 0.377
local terms energy: -171.626898
where:
bonds (distance) C4'-P energy: -32.955
bonds (distance) P-C4' energy: -34.710
flat angles C4'-P-C4' energy: -38.498
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -43.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -485.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.187385 (E_RNA)
where:
Base-Base interactions energy: -320.399
where: short stacking energy: -122.509
Base-Backbone interact. energy: -1.614
local terms energy: -163.174027
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -28.780
flat angles C4'-P-C4' energy: -43.110
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: -40.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -405.744967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.744967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.744967 (E_RNA)
where:
Base-Base interactions energy: -259.699
where: short stacking energy: -120.066
Base-Backbone interact. energy: 2.103
local terms energy: -148.148746
where:
bonds (distance) C4'-P energy: -26.541
bonds (distance) P-C4' energy: -35.859
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -30.523
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: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -290.741957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.741957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.741957 (E_RNA)
where:
Base-Base interactions energy: -163.096
where: short stacking energy: -87.480
Base-Backbone interact. energy: -1.424
local terms energy: -126.221290
where:
bonds (distance) C4'-P energy: -38.450
bonds (distance) P-C4' energy: -31.831
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -17.283
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: 109
Temperature: 1.200000
Total energy: -181.997164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.997164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.997164 (E_RNA)
where:
Base-Base interactions energy: -75.463
where: short stacking energy: -68.323
Base-Backbone interact. energy: 0.116
local terms energy: -106.650931
where:
bonds (distance) C4'-P energy: -26.198
bonds (distance) P-C4' energy: -35.107
flat angles C4'-P-C4' energy: -35.063
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -198.535666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.535666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.535666 (E_RNA)
where:
Base-Base interactions energy: -98.393
where: short stacking energy: -48.168
Base-Backbone interact. energy: 3.879
local terms energy: -104.021818
where:
bonds (distance) C4'-P energy: -23.641
bonds (distance) P-C4' energy: -31.310
flat angles C4'-P-C4' energy: -29.169
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -162.055028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.055028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.055028 (E_RNA)
where:
Base-Base interactions energy: -61.777
where: short stacking energy: -44.111
Base-Backbone interact. energy: 2.916
local terms energy: -103.193175
where:
bonds (distance) C4'-P energy: -35.743
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: 2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -148.647227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.647227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.647227 (E_RNA)
where:
Base-Base interactions energy: -41.693
where: short stacking energy: -29.165
Base-Backbone interact. energy: -0.129
local terms energy: -106.825187
where:
bonds (distance) C4'-P energy: -30.736
bonds (distance) P-C4' energy: -37.392
flat angles C4'-P-C4' energy: -28.166
flat angles P-C4'-P energy: -12.467
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: 1, replica: 4
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -545.610043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.610043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.610043 (E_RNA)
where:
Base-Base interactions energy: -359.957
where: short stacking energy: -157.095
Base-Backbone interact. energy: -0.236
local terms energy: -185.417245
where:
bonds (distance) C4'-P energy: -37.377
bonds (distance) P-C4' energy: -35.594
flat angles C4'-P-C4' energy: -41.271
flat angles P-C4'-P energy: -25.866
tors. eta vs tors. theta energy: -45.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -534.173826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.173826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.173826 (E_RNA)
where:
Base-Base interactions energy: -342.748
where: short stacking energy: -159.081
Base-Backbone interact. energy: -0.018
local terms energy: -191.407268
where:
bonds (distance) C4'-P energy: -36.844
bonds (distance) P-C4' energy: -39.016
flat angles C4'-P-C4' energy: -39.218
flat angles P-C4'-P energy: -22.589
tors. eta vs tors. theta energy: -53.740
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: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -495.264867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.264867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.264867 (E_RNA)
where:
Base-Base interactions energy: -325.667
where: short stacking energy: -123.380
Base-Backbone interact. energy: -0.586
local terms energy: -169.012172
where:
bonds (distance) C4'-P energy: -35.358
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -39.902
flat angles P-C4'-P energy: -24.326
tors. eta vs tors. theta energy: -37.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -496.879215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.879215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.879215 (E_RNA)
where:
Base-Base interactions energy: -343.582
where: short stacking energy: -141.840
Base-Backbone interact. energy: -1.102
local terms energy: -152.195101
where:
bonds (distance) C4'-P energy: -31.187
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -35.530
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -43.925
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: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -373.452877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.452877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.452877 (E_RNA)
where:
Base-Base interactions energy: -247.012
where: short stacking energy: -104.032
Base-Backbone interact. energy: -1.075
local terms energy: -125.365442
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -31.107
flat angles C4'-P-C4' energy: -33.322
flat angles P-C4'-P energy: -14.553
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: 6, replica: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -269.687478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.687478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.687478 (E_RNA)
where:
Base-Base interactions energy: -137.589
where: short stacking energy: -70.141
Base-Backbone interact. energy: -0.439
local terms energy: -131.659553
where:
bonds (distance) C4'-P energy: -32.985
bonds (distance) P-C4' energy: -28.040
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -214.696886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.696886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.696886 (E_RNA)
where:
Base-Base interactions energy: -96.072
where: short stacking energy: -64.246
Base-Backbone interact. energy: -0.336
local terms energy: -118.288660
where:
bonds (distance) C4'-P energy: -36.162
bonds (distance) P-C4' energy: -30.174
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -161.321136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.321136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.321136 (E_RNA)
where:
Base-Base interactions energy: -49.625
where: short stacking energy: -45.880
Base-Backbone interact. energy: -0.389
local terms energy: -111.307766
where:
bonds (distance) C4'-P energy: -28.654
bonds (distance) P-C4' energy: -36.130
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -170.438711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.438711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.438711 (E_RNA)
where:
Base-Base interactions energy: -68.010
where: short stacking energy: -48.668
Base-Backbone interact. energy: -0.378
local terms energy: -102.050340
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -9.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -145.746472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.746472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.746472 (E_RNA)
where:
Base-Base interactions energy: -45.072
where: short stacking energy: -37.958
Base-Backbone interact. energy: -0.468
local terms energy: -100.206663
where:
bonds (distance) C4'-P energy: -27.714
bonds (distance) P-C4' energy: -31.027
flat angles C4'-P-C4' energy: -26.767
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: 2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -531.175562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.175562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.175562 (E_RNA)
where:
Base-Base interactions energy: -347.585
where: short stacking energy: -143.898
Base-Backbone interact. energy: -0.992
local terms energy: -182.598933
where:
bonds (distance) C4'-P energy: -38.577
bonds (distance) P-C4' energy: -34.260
flat angles C4'-P-C4' energy: -36.908
flat angles P-C4'-P energy: -26.575
tors. eta vs tors. theta energy: -46.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -530.302616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.302616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.302616 (E_RNA)
where:
Base-Base interactions energy: -345.035
where: short stacking energy: -158.737
Base-Backbone interact. energy: -0.808
local terms energy: -184.459253
where:
bonds (distance) C4'-P energy: -33.397
bonds (distance) P-C4' energy: -30.150
flat angles C4'-P-C4' energy: -41.404
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: -55.151
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: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -481.012701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.012701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.012701 (E_RNA)
where:
Base-Base interactions energy: -327.733
where: short stacking energy: -131.990
Base-Backbone interact. energy: 1.479
local terms energy: -154.758707
where:
bonds (distance) C4'-P energy: -34.543
bonds (distance) P-C4' energy: -32.719
flat angles C4'-P-C4' energy: -34.886
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -31.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -361.396577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.396577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.396577 (E_RNA)
where:
Base-Base interactions energy: -217.484
where: short stacking energy: -92.670
Base-Backbone interact. energy: 0.218
local terms energy: -144.130970
where:
bonds (distance) C4'-P energy: -36.159
bonds (distance) P-C4' energy: -36.873
flat angles C4'-P-C4' energy: -35.523
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -465.351694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.351694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.351694 (E_RNA)
where:
Base-Base interactions energy: -312.578
where: short stacking energy: -127.352
Base-Backbone interact. energy: -0.147
local terms energy: -152.626452
where:
bonds (distance) C4'-P energy: -33.996
bonds (distance) P-C4' energy: -30.336
flat angles C4'-P-C4' energy: -27.628
flat angles P-C4'-P energy: -23.831
tors. eta vs tors. theta energy: -36.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -240.383759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.383759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.383759 (E_RNA)
where:
Base-Base interactions energy: -107.973
where: short stacking energy: -66.857
Base-Backbone interact. energy: -1.347
local terms energy: -131.063526
where:
bonds (distance) C4'-P energy: -31.405
bonds (distance) P-C4' energy: -32.943
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -12.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -288.023723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.023723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.023723 (E_RNA)
where:
Base-Base interactions energy: -164.111
where: short stacking energy: -85.743
Base-Backbone interact. energy: -0.391
local terms energy: -123.521636
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -37.455
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -23.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -206.633496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.633496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.633496 (E_RNA)
where:
Base-Base interactions energy: -91.217
where: short stacking energy: -37.648
Base-Backbone interact. energy: -0.516
local terms energy: -114.900405
where:
bonds (distance) C4'-P energy: -31.689
bonds (distance) P-C4' energy: -31.708
flat angles C4'-P-C4' energy: -25.431
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -150.745464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.745464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.745464 (E_RNA)
where:
Base-Base interactions energy: -47.935
where: short stacking energy: -43.316
Base-Backbone interact. energy: -0.391
local terms energy: -102.419841
where:
bonds (distance) C4'-P energy: -27.231
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -31.154
flat angles P-C4'-P energy: -22.406
tors. eta vs tors. theta energy: 2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -142.820446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.820446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.820446 (E_RNA)
where:
Base-Base interactions energy: -51.653
where: short stacking energy: -42.658
Base-Backbone interact. energy: -1.125
local terms energy: -90.042800
where:
bonds (distance) C4'-P energy: -30.311
bonds (distance) P-C4' energy: -24.068
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: 6.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -532.141170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.141170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.141170 (E_RNA)
where:
Base-Base interactions energy: -355.486
where: short stacking energy: -158.213
Base-Backbone interact. energy: -0.602
local terms energy: -176.053305
where:
bonds (distance) C4'-P energy: -30.154
bonds (distance) P-C4' energy: -35.246
flat angles C4'-P-C4' energy: -35.460
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -53.136
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: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -514.762637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.762637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.762637 (E_RNA)
where:
Base-Base interactions energy: -327.831
where: short stacking energy: -157.033
Base-Backbone interact. energy: -0.081
local terms energy: -186.850601
where:
bonds (distance) C4'-P energy: -31.827
bonds (distance) P-C4' energy: -35.928
flat angles C4'-P-C4' energy: -39.590
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -53.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -495.576718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.576718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.576718 (E_RNA)
where:
Base-Base interactions energy: -336.057
where: short stacking energy: -136.716
Base-Backbone interact. energy: -0.495
local terms energy: -159.024894
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -37.794
flat angles C4'-P-C4' energy: -35.345
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -40.450
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: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -419.600163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.600163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.600163 (E_RNA)
where:
Base-Base interactions energy: -260.621
where: short stacking energy: -110.917
Base-Backbone interact. energy: -0.801
local terms energy: -158.177684
where:
bonds (distance) C4'-P energy: -29.107
bonds (distance) P-C4' energy: -32.254
flat angles C4'-P-C4' energy: -34.338
flat angles P-C4'-P energy: -25.918
tors. eta vs tors. theta energy: -36.561
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: 112
Temperature: 1.100000
Total energy: -430.645638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.645638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.645638 (E_RNA)
where:
Base-Base interactions energy: -279.162
where: short stacking energy: -118.073
Base-Backbone interact. energy: 2.004
local terms energy: -153.487959
where:
bonds (distance) C4'-P energy: -35.390
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -34.546
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -34.670
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: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -241.837665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.837665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.837665 (E_RNA)
where:
Base-Base interactions energy: -127.260
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.475
local terms energy: -114.102193
where:
bonds (distance) C4'-P energy: -31.619
bonds (distance) P-C4' energy: -27.485
flat angles C4'-P-C4' energy: -32.539
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -267.634876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.634876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.634876 (E_RNA)
where:
Base-Base interactions energy: -150.428
where: short stacking energy: -66.675
Base-Backbone interact. energy: -0.960
local terms energy: -116.247544
where:
bonds (distance) C4'-P energy: -26.406
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -27.267
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -174.496320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.496320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.496320 (E_RNA)
where:
Base-Base interactions energy: -71.036
where: short stacking energy: -62.480
Base-Backbone interact. energy: -0.197
local terms energy: -103.263298
where:
bonds (distance) C4'-P energy: -29.841
bonds (distance) P-C4' energy: -28.285
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -162.204260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.204260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.204260 (E_RNA)
where:
Base-Base interactions energy: -47.245
where: short stacking energy: -39.531
Base-Backbone interact. energy: -0.668
local terms energy: -114.291636
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -33.214
flat angles C4'-P-C4' energy: -31.790
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: 4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -140.841581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.841581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.841581 (E_RNA)
where:
Base-Base interactions energy: -48.802
where: short stacking energy: -35.197
Base-Backbone interact. energy: -0.941
local terms energy: -91.098721
where:
bonds (distance) C4'-P energy: -35.178
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: 10.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -529.898201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.898201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.898201 (E_RNA)
where:
Base-Base interactions energy: -353.468
where: short stacking energy: -144.742
Base-Backbone interact. energy: -1.216
local terms energy: -175.214574
where:
bonds (distance) C4'-P energy: -32.682
bonds (distance) P-C4' energy: -35.851
flat angles C4'-P-C4' energy: -34.693
flat angles P-C4'-P energy: -30.785
tors. eta vs tors. theta energy: -41.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -523.101525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.101525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.101525 (E_RNA)
where:
Base-Base interactions energy: -330.593
where: short stacking energy: -154.864
Base-Backbone interact. energy: -1.266
local terms energy: -191.242247
where:
bonds (distance) C4'-P energy: -38.237
bonds (distance) P-C4' energy: -41.364
flat angles C4'-P-C4' energy: -34.832
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -55.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -525.225157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.225157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.225157 (E_RNA)
where:
Base-Base interactions energy: -359.078
where: short stacking energy: -150.721
Base-Backbone interact. energy: -1.323
local terms energy: -164.824913
where:
bonds (distance) C4'-P energy: -29.242
bonds (distance) P-C4' energy: -32.910
flat angles C4'-P-C4' energy: -35.730
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: -44.791
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: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -451.701331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.701331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.701331 (E_RNA)
where:
Base-Base interactions energy: -292.152
where: short stacking energy: -119.117
Base-Backbone interact. energy: -2.029
local terms energy: -157.520033
where:
bonds (distance) C4'-P energy: -33.425
bonds (distance) P-C4' energy: -37.268
flat angles C4'-P-C4' energy: -33.724
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -33.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -462.853753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.853753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.853753 (E_RNA)
where:
Base-Base interactions energy: -306.991
where: short stacking energy: -126.474
Base-Backbone interact. energy: -0.252
local terms energy: -155.610814
where:
bonds (distance) C4'-P energy: -27.672
bonds (distance) P-C4' energy: -40.078
flat angles C4'-P-C4' energy: -32.226
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -39.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -254.348773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.348773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.348773 (E_RNA)
where:
Base-Base interactions energy: -121.132
where: short stacking energy: -71.278
Base-Backbone interact. energy: 0.014
local terms energy: -133.230964
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -31.064
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -274.704387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.704387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.704387 (E_RNA)
where:
Base-Base interactions energy: -151.413
where: short stacking energy: -85.750
Base-Backbone interact. energy: -1.187
local terms energy: -122.104253
where:
bonds (distance) C4'-P energy: -26.520
bonds (distance) P-C4' energy: -28.557
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -20.332
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -168.901297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.901297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.901297 (E_RNA)
where:
Base-Base interactions energy: -52.616
where: short stacking energy: -49.837
Base-Backbone interact. energy: -0.140
local terms energy: -116.145237
where:
bonds (distance) C4'-P energy: -28.602
bonds (distance) P-C4' energy: -36.749
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -165.753647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.753647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.753647 (E_RNA)
where:
Base-Base interactions energy: -70.680
where: short stacking energy: -46.232
Base-Backbone interact. energy: 1.745
local terms energy: -96.818982
where:
bonds (distance) C4'-P energy: -32.012
bonds (distance) P-C4' energy: -32.228
flat angles C4'-P-C4' energy: -25.676
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -153.120830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.120830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.120830 (E_RNA)
where:
Base-Base interactions energy: -55.014
where: short stacking energy: -28.329
Base-Backbone interact. energy: -0.609
local terms energy: -97.497657
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -29.846
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: 0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -540.335014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.335014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.335014 (E_RNA)
where:
Base-Base interactions energy: -360.023
where: short stacking energy: -153.328
Base-Backbone interact. energy: -0.030
local terms energy: -180.281546
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -39.211
flat angles C4'-P-C4' energy: -34.781
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -52.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -516.157460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.157460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.157460 (E_RNA)
where:
Base-Base interactions energy: -351.779
where: short stacking energy: -151.629
Base-Backbone interact. energy: 0.861
local terms energy: -165.239872
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -27.422
flat angles C4'-P-C4' energy: -40.504
flat angles P-C4'-P energy: -28.390
tors. eta vs tors. theta energy: -43.282
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: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -497.291023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.291023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.291023 (E_RNA)
where:
Base-Base interactions energy: -328.145
where: short stacking energy: -147.187
Base-Backbone interact. energy: -2.116
local terms energy: -167.029858
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -32.610
flat angles C4'-P-C4' energy: -35.387
flat angles P-C4'-P energy: -24.379
tors. eta vs tors. theta energy: -42.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -423.019167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.019167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.019167 (E_RNA)
where:
Base-Base interactions energy: -266.311
where: short stacking energy: -125.050
Base-Backbone interact. energy: 1.000
local terms energy: -157.708219
where:
bonds (distance) C4'-P energy: -32.679
bonds (distance) P-C4' energy: -34.966
flat angles C4'-P-C4' energy: -35.252
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -36.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -451.768369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.768369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.768369 (E_RNA)
where:
Base-Base interactions energy: -304.164
where: short stacking energy: -126.549
Base-Backbone interact. energy: -0.542
local terms energy: -147.062259
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -27.953
flat angles C4'-P-C4' energy: -40.049
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -41.906
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: 9
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -271.903046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.903046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.903046 (E_RNA)
where:
Base-Base interactions energy: -137.802
where: short stacking energy: -78.570
Base-Backbone interact. energy: 0.691
local terms energy: -134.792111
where:
bonds (distance) C4'-P energy: -33.551
bonds (distance) P-C4' energy: -38.544
flat angles C4'-P-C4' energy: -34.363
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -326.325236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.325236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.325236 (E_RNA)
where:
Base-Base interactions energy: -200.676
where: short stacking energy: -104.920
Base-Backbone interact. energy: 0.292
local terms energy: -125.941290
where:
bonds (distance) C4'-P energy: -27.947
bonds (distance) P-C4' energy: -31.780
flat angles C4'-P-C4' energy: -30.225
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -161.397028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.397028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.397028 (E_RNA)
where:
Base-Base interactions energy: -58.324
where: short stacking energy: -54.598
Base-Backbone interact. energy: -0.311
local terms energy: -102.761330
where:
bonds (distance) C4'-P energy: -27.414
bonds (distance) P-C4' energy: -32.074
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -19.400
tors. eta vs tors. theta energy: 0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -173.867760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.867760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.867760 (E_RNA)
where:
Base-Base interactions energy: -74.966
where: short stacking energy: -50.697
Base-Backbone interact. energy: -0.227
local terms energy: -98.675608
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -34.326
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -148.296097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.296097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.296097 (E_RNA)
where:
Base-Base interactions energy: -45.376
where: short stacking energy: -24.819
Base-Backbone interact. energy: -0.699
local terms energy: -102.220486
where:
bonds (distance) C4'-P energy: -38.424
bonds (distance) P-C4' energy: -24.867
flat angles C4'-P-C4' energy: -27.015
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: 3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -537.031705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.031705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.031705 (E_RNA)
where:
Base-Base interactions energy: -344.891
where: short stacking energy: -137.926
Base-Backbone interact. energy: 0.060
local terms energy: -192.201101
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -38.059
flat angles C4'-P-C4' energy: -40.483
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: -53.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -524.165197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.165197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.165197 (E_RNA)
where:
Base-Base interactions energy: -354.105
where: short stacking energy: -136.389
Base-Backbone interact. energy: -0.602
local terms energy: -169.458070
where:
bonds (distance) C4'-P energy: -35.060
bonds (distance) P-C4' energy: -40.446
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -22.361
tors. eta vs tors. theta energy: -35.786
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: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -497.278819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.278819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.278819 (E_RNA)
where:
Base-Base interactions energy: -330.782
where: short stacking energy: -138.112
Base-Backbone interact. energy: 0.216
local terms energy: -166.713472
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -36.343
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -28.761
tors. eta vs tors. theta energy: -40.525
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: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -447.995873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.995873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.995873 (E_RNA)
where:
Base-Base interactions energy: -292.241
where: short stacking energy: -120.564
Base-Backbone interact. energy: -0.234
local terms energy: -155.520175
where:
bonds (distance) C4'-P energy: -36.602
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -25.819
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: 5, replica: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -427.924131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.924131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.924131 (E_RNA)
where:
Base-Base interactions energy: -277.979
where: short stacking energy: -115.493
Base-Backbone interact. energy: -0.777
local terms energy: -149.168134
where:
bonds (distance) C4'-P energy: -30.688
bonds (distance) P-C4' energy: -26.743
flat angles C4'-P-C4' energy: -33.776
flat angles P-C4'-P energy: -19.910
tors. eta vs tors. theta energy: -38.050
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: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -288.341613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.341613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.341613 (E_RNA)
where:
Base-Base interactions energy: -162.569
where: short stacking energy: -86.876
Base-Backbone interact. energy: -0.681
local terms energy: -125.091761
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -290.410642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.410642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.410642 (E_RNA)
where:
Base-Base interactions energy: -168.645
where: short stacking energy: -71.390
Base-Backbone interact. energy: 0.544
local terms energy: -122.309816
where:
bonds (distance) C4'-P energy: -32.785
bonds (distance) P-C4' energy: -38.223
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -174.035312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.035312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.035312 (E_RNA)
where:
Base-Base interactions energy: -65.274
where: short stacking energy: -50.153
Base-Backbone interact. energy: -0.319
local terms energy: -108.442020
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -173.893491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.893491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.893491 (E_RNA)
where:
Base-Base interactions energy: -79.122
where: short stacking energy: -52.162
Base-Backbone interact. energy: 0.553
local terms energy: -95.324810
where:
bonds (distance) C4'-P energy: -26.606
bonds (distance) P-C4' energy: -27.686
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: 2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -163.335024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.335024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.335024 (E_RNA)
where:
Base-Base interactions energy: -56.140
where: short stacking energy: -31.231
Base-Backbone interact. energy: -0.631
local terms energy: -106.564123
where:
bonds (distance) C4'-P energy: -30.394
bonds (distance) P-C4' energy: -32.923
flat angles C4'-P-C4' energy: -27.530
flat angles P-C4'-P energy: -17.030
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: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -539.265697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.265697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.265697 (E_RNA)
where:
Base-Base interactions energy: -365.309
where: short stacking energy: -148.954
Base-Backbone interact. energy: -0.830
local terms energy: -173.127467
where:
bonds (distance) C4'-P energy: -27.839
bonds (distance) P-C4' energy: -35.149
flat angles C4'-P-C4' energy: -38.362
flat angles P-C4'-P energy: -26.145
tors. eta vs tors. theta energy: -45.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -532.953852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.953852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.953852 (E_RNA)
where:
Base-Base interactions energy: -350.909
where: short stacking energy: -158.585
Base-Backbone interact. energy: -0.486
local terms energy: -181.558317
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -39.391
flat angles P-C4'-P energy: -28.116
tors. eta vs tors. theta energy: -52.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -503.165138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.165138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.165138 (E_RNA)
where:
Base-Base interactions energy: -340.043
where: short stacking energy: -157.174
Base-Backbone interact. energy: -0.423
local terms energy: -162.699648
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -30.436
flat angles C4'-P-C4' energy: -39.279
flat angles P-C4'-P energy: -28.026
tors. eta vs tors. theta energy: -41.130
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: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -446.294433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.294433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.294433 (E_RNA)
where:
Base-Base interactions energy: -299.780
where: short stacking energy: -107.608
Base-Backbone interact. energy: -1.083
local terms energy: -145.431791
where:
bonds (distance) C4'-P energy: -26.096
bonds (distance) P-C4' energy: -34.386
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -32.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -404.327885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.327885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.327885 (E_RNA)
where:
Base-Base interactions energy: -256.260
where: short stacking energy: -118.213
Base-Backbone interact. energy: -1.549
local terms energy: -146.518960
where:
bonds (distance) C4'-P energy: -34.489
bonds (distance) P-C4' energy: -35.676
flat angles C4'-P-C4' energy: -37.902
flat angles P-C4'-P energy: -16.092
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: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -293.714251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.714251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.714251 (E_RNA)
where:
Base-Base interactions energy: -161.149
where: short stacking energy: -67.429
Base-Backbone interact. energy: 0.673
local terms energy: -133.238424
where:
bonds (distance) C4'-P energy: -33.745
bonds (distance) P-C4' energy: -34.082
flat angles C4'-P-C4' energy: -34.621
flat angles P-C4'-P energy: -20.079
tors. eta vs tors. theta energy: -10.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -270.814003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.814003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.814003 (E_RNA)
where:
Base-Base interactions energy: -151.093
where: short stacking energy: -76.386
Base-Backbone interact. energy: -1.565
local terms energy: -118.155764
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -32.046
flat angles C4'-P-C4' energy: -32.755
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -9.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -176.367901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.367901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.367901 (E_RNA)
where:
Base-Base interactions energy: -66.081
where: short stacking energy: -38.727
Base-Backbone interact. energy: -0.292
local terms energy: -109.995497
where:
bonds (distance) C4'-P energy: -34.194
bonds (distance) P-C4' energy: -30.265
flat angles C4'-P-C4' energy: -30.816
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: 2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -168.081150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.081150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.081150 (E_RNA)
where:
Base-Base interactions energy: -72.642
where: short stacking energy: -45.151
Base-Backbone interact. energy: -1.096
local terms energy: -94.343315
where:
bonds (distance) C4'-P energy: -31.684
bonds (distance) P-C4' energy: -26.810
flat angles C4'-P-C4' energy: -27.036
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: 5.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -147.302875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.302875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.302875 (E_RNA)
where:
Base-Base interactions energy: -47.373
where: short stacking energy: -32.502
Base-Backbone interact. energy: 1.912
local terms energy: -101.841849
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -40.433
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: 5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -538.822164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.822164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.822164 (E_RNA)
where:
Base-Base interactions energy: -369.888
where: short stacking energy: -163.521
Base-Backbone interact. energy: 0.445
local terms energy: -169.379236
where:
bonds (distance) C4'-P energy: -33.742
bonds (distance) P-C4' energy: -34.401
flat angles C4'-P-C4' energy: -27.336
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -48.631
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: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -517.797395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.797395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.797395 (E_RNA)
where:
Base-Base interactions energy: -334.800
where: short stacking energy: -158.664
Base-Backbone interact. energy: -0.039
local terms energy: -182.957908
where:
bonds (distance) C4'-P energy: -29.100
bonds (distance) P-C4' energy: -30.391
flat angles C4'-P-C4' energy: -38.163
flat angles P-C4'-P energy: -27.316
tors. eta vs tors. theta energy: -57.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -504.205449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.205449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.205449 (E_RNA)
where:
Base-Base interactions energy: -333.742
where: short stacking energy: -142.015
Base-Backbone interact. energy: 0.280
local terms energy: -170.743221
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -38.982
flat angles C4'-P-C4' energy: -34.704
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: -42.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -437.899495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.899495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.899495 (E_RNA)
where:
Base-Base interactions energy: -289.808
where: short stacking energy: -114.890
Base-Backbone interact. energy: 0.878
local terms energy: -148.969478
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -34.606
flat angles C4'-P-C4' energy: -35.741
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -31.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -441.252616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.252616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.252616 (E_RNA)
where:
Base-Base interactions energy: -290.051
where: short stacking energy: -130.919
Base-Backbone interact. energy: -1.105
local terms energy: -150.096610
where:
bonds (distance) C4'-P energy: -30.149
bonds (distance) P-C4' energy: -36.511
flat angles C4'-P-C4' energy: -31.263
flat angles P-C4'-P energy: -20.453
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: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -286.181792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.181792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.181792 (E_RNA)
where:
Base-Base interactions energy: -162.953
where: short stacking energy: -94.910
Base-Backbone interact. energy: -0.225
local terms energy: -123.003370
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -26.234
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -24.507
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: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -255.820243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.820243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.820243 (E_RNA)
where:
Base-Base interactions energy: -132.137
where: short stacking energy: -82.666
Base-Backbone interact. energy: -0.043
local terms energy: -123.640962
where:
bonds (distance) C4'-P energy: -25.910
bonds (distance) P-C4' energy: -35.607
flat angles C4'-P-C4' energy: -29.737
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -161.905233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.905233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.905233 (E_RNA)
where:
Base-Base interactions energy: -53.461
where: short stacking energy: -39.706
Base-Backbone interact. energy: -0.410
local terms energy: -108.034380
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -33.240
flat angles C4'-P-C4' energy: -26.141
flat angles P-C4'-P energy: -21.014
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: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -162.006316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.006316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.006316 (E_RNA)
where:
Base-Base interactions energy: -60.660
where: short stacking energy: -47.789
Base-Backbone interact. energy: 1.833
local terms energy: -103.180009
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -34.611
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -20.290
tors. eta vs tors. theta energy: 2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -151.572751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.572751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.572751 (E_RNA)
where:
Base-Base interactions energy: -57.534
where: short stacking energy: -40.966
Base-Backbone interact. energy: 1.710
local terms energy: -95.749386
where:
bonds (distance) C4'-P energy: -26.710
bonds (distance) P-C4' energy: -31.739
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: 1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -542.132431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.132431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.132431 (E_RNA)
where:
Base-Base interactions energy: -343.171
where: short stacking energy: -158.734
Base-Backbone interact. energy: -0.414
local terms energy: -198.547444
where:
bonds (distance) C4'-P energy: -34.508
bonds (distance) P-C4' energy: -40.226
flat angles C4'-P-C4' energy: -36.279
flat angles P-C4'-P energy: -31.869
tors. eta vs tors. theta energy: -55.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -526.889416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.889416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.889416 (E_RNA)
where:
Base-Base interactions energy: -340.851
where: short stacking energy: -136.401
Base-Backbone interact. energy: -0.949
local terms energy: -185.089414
where:
bonds (distance) C4'-P energy: -38.198
bonds (distance) P-C4' energy: -33.038
flat angles C4'-P-C4' energy: -39.299
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -47.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -492.427659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.427659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.427659 (E_RNA)
where:
Base-Base interactions energy: -330.606
where: short stacking energy: -145.045
Base-Backbone interact. energy: -0.695
local terms energy: -161.126459
where:
bonds (distance) C4'-P energy: -35.792
bonds (distance) P-C4' energy: -36.380
flat angles C4'-P-C4' energy: -27.519
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: -40.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -440.543712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.543712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.543712 (E_RNA)
where:
Base-Base interactions energy: -283.393
where: short stacking energy: -134.538
Base-Backbone interact. energy: -0.396
local terms energy: -156.755032
where:
bonds (distance) C4'-P energy: -33.591
bonds (distance) P-C4' energy: -31.449
flat angles C4'-P-C4' energy: -29.122
flat angles P-C4'-P energy: -24.245
tors. eta vs tors. theta energy: -38.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -429.262398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.262398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.262398 (E_RNA)
where:
Base-Base interactions energy: -292.358
where: short stacking energy: -124.465
Base-Backbone interact. energy: -0.158
local terms energy: -136.745874
where:
bonds (distance) C4'-P energy: -31.207
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -32.596
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -30.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -291.787648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.787648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.787648 (E_RNA)
where:
Base-Base interactions energy: -157.468
where: short stacking energy: -77.475
Base-Backbone interact. energy: -0.296
local terms energy: -134.024249
where:
bonds (distance) C4'-P energy: -31.995
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -32.083
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -262.309366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.309366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.309366 (E_RNA)
where:
Base-Base interactions energy: -137.739
where: short stacking energy: -67.562
Base-Backbone interact. energy: -0.555
local terms energy: -124.015872
where:
bonds (distance) C4'-P energy: -36.791
bonds (distance) P-C4' energy: -25.661
flat angles C4'-P-C4' energy: -34.855
flat angles P-C4'-P energy: -20.293
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -202.082947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.082947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.082947 (E_RNA)
where:
Base-Base interactions energy: -104.813
where: short stacking energy: -67.177
Base-Backbone interact. energy: -0.549
local terms energy: -96.721001
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -22.153
flat angles P-C4'-P energy: -19.151
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: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -177.153164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.153164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.153164 (E_RNA)
where:
Base-Base interactions energy: -70.084
where: short stacking energy: -48.751
Base-Backbone interact. energy: -0.099
local terms energy: -106.970004
where:
bonds (distance) C4'-P energy: -26.974
bonds (distance) P-C4' energy: -32.855
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -147.748950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.748950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.748950 (E_RNA)
where:
Base-Base interactions energy: -44.773
where: short stacking energy: -39.789
Base-Backbone interact. energy: 0.932
local terms energy: -103.908363
where:
bonds (distance) C4'-P energy: -28.639
bonds (distance) P-C4' energy: -28.561
flat angles C4'-P-C4' energy: -24.028
flat angles P-C4'-P energy: -21.498
tors. eta vs tors. theta energy: -1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -545.818851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.818851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.818851 (E_RNA)
where:
Base-Base interactions energy: -353.484
where: short stacking energy: -151.894
Base-Backbone interact. energy: -0.326
local terms energy: -192.008714
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -40.492
flat angles C4'-P-C4' energy: -35.770
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -55.863
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: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -496.673126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.673126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.673126 (E_RNA)
where:
Base-Base interactions energy: -329.838
where: short stacking energy: -137.362
Base-Backbone interact. energy: -0.192
local terms energy: -166.643009
where:
bonds (distance) C4'-P energy: -33.597
bonds (distance) P-C4' energy: -37.701
flat angles C4'-P-C4' energy: -34.963
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -41.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -518.610657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.610657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.610657 (E_RNA)
where:
Base-Base interactions energy: -345.846
where: short stacking energy: -146.831
Base-Backbone interact. energy: 0.990
local terms energy: -173.754070
where:
bonds (distance) C4'-P energy: -31.493
bonds (distance) P-C4' energy: -34.910
flat angles C4'-P-C4' energy: -33.461
flat angles P-C4'-P energy: -27.591
tors. eta vs tors. theta energy: -46.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -419.706827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.706827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.706827 (E_RNA)
where:
Base-Base interactions energy: -268.675
where: short stacking energy: -124.012
Base-Backbone interact. energy: -1.185
local terms energy: -149.847414
where:
bonds (distance) C4'-P energy: -32.082
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -27.469
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -35.476
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: 119
Temperature: 1.100000
Total energy: -394.415280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.415280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.415280 (E_RNA)
where:
Base-Base interactions energy: -255.953
where: short stacking energy: -108.581
Base-Backbone interact. energy: -1.459
local terms energy: -137.003504
where:
bonds (distance) C4'-P energy: -31.475
bonds (distance) P-C4' energy: -34.381
flat angles C4'-P-C4' energy: -26.876
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -29.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -272.670303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.670303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.670303 (E_RNA)
where:
Base-Base interactions energy: -143.388
where: short stacking energy: -85.946
Base-Backbone interact. energy: -0.452
local terms energy: -128.830381
where:
bonds (distance) C4'-P energy: -27.403
bonds (distance) P-C4' energy: -33.773
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: -15.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -244.270479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.270479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.270479 (E_RNA)
where:
Base-Base interactions energy: -125.631
where: short stacking energy: -63.602
Base-Backbone interact. energy: 0.035
local terms energy: -118.674115
where:
bonds (distance) C4'-P energy: -30.862
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -27.217
flat angles P-C4'-P energy: -24.000
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -169.807100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.807100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.807100 (E_RNA)
where:
Base-Base interactions energy: -50.440
where: short stacking energy: -47.276
Base-Backbone interact. energy: -0.482
local terms energy: -118.884469
where:
bonds (distance) C4'-P energy: -28.568
bonds (distance) P-C4' energy: -30.989
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -21.501
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: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -161.507156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.507156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.507156 (E_RNA)
where:
Base-Base interactions energy: -41.847
where: short stacking energy: -41.007
Base-Backbone interact. energy: 0.180
local terms energy: -119.840495
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -36.676
flat angles C4'-P-C4' energy: -35.813
flat angles P-C4'-P energy: -13.250
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: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -151.812133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.812133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.812133 (E_RNA)
where:
Base-Base interactions energy: -45.135
where: short stacking energy: -44.948
Base-Backbone interact. energy: 0.836
local terms energy: -107.513259
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -35.311
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -22.192
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: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -550.489719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.489719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.489719 (E_RNA)
where:
Base-Base interactions energy: -364.947
where: short stacking energy: -167.866
Base-Backbone interact. energy: -0.110
local terms energy: -185.432922
where:
bonds (distance) C4'-P energy: -36.031
bonds (distance) P-C4' energy: -33.938
flat angles C4'-P-C4' energy: -36.111
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -56.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -503.060761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.060761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.060761 (E_RNA)
where:
Base-Base interactions energy: -338.241
where: short stacking energy: -139.078
Base-Backbone interact. energy: -0.282
local terms energy: -164.537325
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -37.191
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -42.929
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: 120
Temperature: 1.000000
Total energy: -462.716323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.716323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.716323 (E_RNA)
where:
Base-Base interactions energy: -278.931
where: short stacking energy: -128.946
Base-Backbone interact. energy: -0.217
local terms energy: -183.568148
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -36.399
flat angles C4'-P-C4' energy: -40.058
flat angles P-C4'-P energy: -26.930
tors. eta vs tors. theta energy: -46.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -481.382121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.382121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.382121 (E_RNA)
where:
Base-Base interactions energy: -321.391
where: short stacking energy: -135.427
Base-Backbone interact. energy: -0.745
local terms energy: -159.245989
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -29.374
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -24.863
tors. eta vs tors. theta energy: -42.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -371.338602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.338602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.338602 (E_RNA)
where:
Base-Base interactions energy: -246.829
where: short stacking energy: -100.209
Base-Backbone interact. energy: -0.658
local terms energy: -123.851631
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -33.044
flat angles C4'-P-C4' energy: -27.991
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -282.962777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.962777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.962777 (E_RNA)
where:
Base-Base interactions energy: -155.419
where: short stacking energy: -87.244
Base-Backbone interact. energy: -0.320
local terms energy: -127.223326
where:
bonds (distance) C4'-P energy: -28.769
bonds (distance) P-C4' energy: -35.643
flat angles C4'-P-C4' energy: -30.930
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -288.488459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.488459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.488459 (E_RNA)
where:
Base-Base interactions energy: -156.012
where: short stacking energy: -87.276
Base-Backbone interact. energy: 2.633
local terms energy: -135.108906
where:
bonds (distance) C4'-P energy: -25.256
bonds (distance) P-C4' energy: -33.453
flat angles C4'-P-C4' energy: -32.273
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -173.364248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.364248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.364248 (E_RNA)
where:
Base-Base interactions energy: -66.734
where: short stacking energy: -54.133
Base-Backbone interact. energy: -0.827
local terms energy: -105.802788
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -35.882
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -152.165855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.165855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.165855 (E_RNA)
where:
Base-Base interactions energy: -46.687
where: short stacking energy: -39.370
Base-Backbone interact. energy: -0.196
local terms energy: -105.282960
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -34.600
flat angles C4'-P-C4' energy: -25.315
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: 0.899
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: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -149.043864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.043864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.043864 (E_RNA)
where:
Base-Base interactions energy: -39.955
where: short stacking energy: -37.976
Base-Backbone interact. energy: 1.715
local terms energy: -110.804122
where:
bonds (distance) C4'-P energy: -32.098
bonds (distance) P-C4' energy: -36.366
flat angles C4'-P-C4' energy: -26.902
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: 4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -556.292947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.292947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.292947 (E_RNA)
where:
Base-Base interactions energy: -359.183
where: short stacking energy: -168.957
Base-Backbone interact. energy: -0.263
local terms energy: -196.847140
where:
bonds (distance) C4'-P energy: -37.536
bonds (distance) P-C4' energy: -36.559
flat angles C4'-P-C4' energy: -38.982
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -55.806
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: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -521.876658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.876658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.876658 (E_RNA)
where:
Base-Base interactions energy: -345.795
where: short stacking energy: -156.308
Base-Backbone interact. energy: 0.967
local terms energy: -177.048271
where:
bonds (distance) C4'-P energy: -37.913
bonds (distance) P-C4' energy: -31.042
flat angles C4'-P-C4' energy: -39.944
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -44.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -444.893458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.893458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.893458 (E_RNA)
where:
Base-Base interactions energy: -270.274
where: short stacking energy: -119.798
Base-Backbone interact. energy: -0.515
local terms energy: -174.104293
where:
bonds (distance) C4'-P energy: -33.422
bonds (distance) P-C4' energy: -40.415
flat angles C4'-P-C4' energy: -35.680
flat angles P-C4'-P energy: -24.047
tors. eta vs tors. theta energy: -40.540
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: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -481.362105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.362105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.362105 (E_RNA)
where:
Base-Base interactions energy: -322.521
where: short stacking energy: -131.283
Base-Backbone interact. energy: -1.349
local terms energy: -157.492254
where:
bonds (distance) C4'-P energy: -31.325
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -20.502
tors. eta vs tors. theta energy: -41.169
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: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -382.149613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.149613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.149613 (E_RNA)
where:
Base-Base interactions energy: -232.109
where: short stacking energy: -93.954
Base-Backbone interact. energy: 0.148
local terms energy: -150.189067
where:
bonds (distance) C4'-P energy: -29.626
bonds (distance) P-C4' energy: -37.261
flat angles C4'-P-C4' energy: -30.816
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -34.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -286.595223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.595223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.595223 (E_RNA)
where:
Base-Base interactions energy: -167.302
where: short stacking energy: -89.753
Base-Backbone interact. energy: -0.879
local terms energy: -118.413888
where:
bonds (distance) C4'-P energy: -32.260
bonds (distance) P-C4' energy: -32.364
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -292.777036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.777036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.777036 (E_RNA)
where:
Base-Base interactions energy: -160.709
where: short stacking energy: -71.327
Base-Backbone interact. energy: -2.086
local terms energy: -129.981683
where:
bonds (distance) C4'-P energy: -26.035
bonds (distance) P-C4' energy: -37.336
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -22.730
tors. eta vs tors. theta energy: -10.242
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: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -192.712286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.712286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.712286 (E_RNA)
where:
Base-Base interactions energy: -89.229
where: short stacking energy: -67.615
Base-Backbone interact. energy: -1.184
local terms energy: -102.299610
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -35.582
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -162.935321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.935321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.935321 (E_RNA)
where:
Base-Base interactions energy: -49.432
where: short stacking energy: -43.358
Base-Backbone interact. energy: 0.098
local terms energy: -113.601318
where:
bonds (distance) C4'-P energy: -35.134
bonds (distance) P-C4' energy: -28.208
flat angles C4'-P-C4' energy: -33.123
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: 1.019
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: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -147.902883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.902883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.902883 (E_RNA)
where:
Base-Base interactions energy: -41.951
where: short stacking energy: -31.341
Base-Backbone interact. energy: -0.391
local terms energy: -105.560617
where:
bonds (distance) C4'-P energy: -28.682
bonds (distance) P-C4' energy: -33.725
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -4.294
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: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -554.427764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.427764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.427764 (E_RNA)
where:
Base-Base interactions energy: -360.558
where: short stacking energy: -172.287
Base-Backbone interact. energy: -0.214
local terms energy: -193.655683
where:
bonds (distance) C4'-P energy: -34.221
bonds (distance) P-C4' energy: -32.536
flat angles C4'-P-C4' energy: -40.504
flat angles P-C4'-P energy: -27.283
tors. eta vs tors. theta energy: -59.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -514.010222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.010222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.010222 (E_RNA)
where:
Base-Base interactions energy: -337.403
where: short stacking energy: -139.947
Base-Backbone interact. energy: -1.424
local terms energy: -175.183437
where:
bonds (distance) C4'-P energy: -38.089
bonds (distance) P-C4' energy: -33.542
flat angles C4'-P-C4' energy: -36.345
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -45.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -513.952859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.952859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.952859 (E_RNA)
where:
Base-Base interactions energy: -346.981
where: short stacking energy: -144.347
Base-Backbone interact. energy: -0.106
local terms energy: -166.865704
where:
bonds (distance) C4'-P energy: -23.226
bonds (distance) P-C4' energy: -34.620
flat angles C4'-P-C4' energy: -39.511
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -43.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -409.146969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.146969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.146969 (E_RNA)
where:
Base-Base interactions energy: -253.115
where: short stacking energy: -108.581
Base-Backbone interact. energy: -0.203
local terms energy: -155.828765
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -35.143
flat angles C4'-P-C4' energy: -38.070
flat angles P-C4'-P energy: -27.125
tors. eta vs tors. theta energy: -29.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -384.748262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.748262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.748262 (E_RNA)
where:
Base-Base interactions energy: -239.036
where: short stacking energy: -92.124
Base-Backbone interact. energy: -1.465
local terms energy: -144.247171
where:
bonds (distance) C4'-P energy: -30.961
bonds (distance) P-C4' energy: -27.651
flat angles C4'-P-C4' energy: -35.851
flat angles P-C4'-P energy: -21.628
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: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -287.587005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.587005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.587005 (E_RNA)
where:
Base-Base interactions energy: -164.454
where: short stacking energy: -78.871
Base-Backbone interact. energy: -1.744
local terms energy: -121.388303
where:
bonds (distance) C4'-P energy: -28.827
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -17.852
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: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -221.392184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.392184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.392184 (E_RNA)
where:
Base-Base interactions energy: -110.721
where: short stacking energy: -54.138
Base-Backbone interact. energy: -0.763
local terms energy: -109.908197
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -35.463
flat angles C4'-P-C4' energy: -24.522
flat angles P-C4'-P energy: -15.018
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: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -172.955794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.955794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.955794 (E_RNA)
where:
Base-Base interactions energy: -55.817
where: short stacking energy: -52.952
Base-Backbone interact. energy: 1.787
local terms energy: -118.925696
where:
bonds (distance) C4'-P energy: -31.055
bonds (distance) P-C4' energy: -39.820
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -158.786820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.786820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.786820 (E_RNA)
where:
Base-Base interactions energy: -44.455
where: short stacking energy: -44.455
Base-Backbone interact. energy: 0.059
local terms energy: -114.390526
where:
bonds (distance) C4'-P energy: -36.313
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -16.601
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -151.821442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.821442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.821442 (E_RNA)
where:
Base-Base interactions energy: -56.302
where: short stacking energy: -45.823
Base-Backbone interact. energy: -0.342
local terms energy: -95.177964
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -29.209
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: 0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -546.601611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.601611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.601611 (E_RNA)
where:
Base-Base interactions energy: -350.231
where: short stacking energy: -171.135
Base-Backbone interact. energy: -0.012
local terms energy: -196.358415
where:
bonds (distance) C4'-P energy: -32.754
bonds (distance) P-C4' energy: -32.572
flat angles C4'-P-C4' energy: -39.280
flat angles P-C4'-P energy: -30.715
tors. eta vs tors. theta energy: -61.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -520.421819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.421819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.421819 (E_RNA)
where:
Base-Base interactions energy: -336.350
where: short stacking energy: -144.057
Base-Backbone interact. energy: -1.531
local terms energy: -182.540673
where:
bonds (distance) C4'-P energy: -35.439
bonds (distance) P-C4' energy: -33.126
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: -49.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -504.397847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.397847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.397847 (E_RNA)
where:
Base-Base interactions energy: -332.329
where: short stacking energy: -143.298
Base-Backbone interact. energy: -0.043
local terms energy: -172.026437
where:
bonds (distance) C4'-P energy: -31.714
bonds (distance) P-C4' energy: -36.178
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -24.972
tors. eta vs tors. theta energy: -44.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -421.477283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.477283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.477283 (E_RNA)
where:
Base-Base interactions energy: -265.365
where: short stacking energy: -130.890
Base-Backbone interact. energy: 2.693
local terms energy: -158.804834
where:
bonds (distance) C4'-P energy: -33.490
bonds (distance) P-C4' energy: -30.313
flat angles C4'-P-C4' energy: -27.577
flat angles P-C4'-P energy: -24.127
tors. eta vs tors. theta energy: -43.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -385.133509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.133509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.133509 (E_RNA)
where:
Base-Base interactions energy: -241.771
where: short stacking energy: -98.892
Base-Backbone interact. energy: -0.649
local terms energy: -142.713371
where:
bonds (distance) C4'-P energy: -23.607
bonds (distance) P-C4' energy: -39.981
flat angles C4'-P-C4' energy: -31.276
flat angles P-C4'-P energy: -24.097
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: 10
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -279.089824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.089824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.089824 (E_RNA)
where:
Base-Base interactions energy: -142.901
where: short stacking energy: -83.750
Base-Backbone interact. energy: 0.025
local terms energy: -136.213669
where:
bonds (distance) C4'-P energy: -22.642
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -38.288
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -184.086283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.086283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.086283 (E_RNA)
where:
Base-Base interactions energy: -68.909
where: short stacking energy: -57.836
Base-Backbone interact. energy: -0.278
local terms energy: -114.899366
where:
bonds (distance) C4'-P energy: -27.692
bonds (distance) P-C4' energy: -34.952
flat angles C4'-P-C4' energy: -29.071
flat angles P-C4'-P energy: -20.361
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -173.225368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.225368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.225368 (E_RNA)
where:
Base-Base interactions energy: -64.492
where: short stacking energy: -48.620
Base-Backbone interact. energy: -0.717
local terms energy: -108.017147
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: 2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -155.812240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.812240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.812240 (E_RNA)
where:
Base-Base interactions energy: -53.702
where: short stacking energy: -43.954
Base-Backbone interact. energy: 2.750
local terms energy: -104.859972
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -30.174
flat angles C4'-P-C4' energy: -27.728
flat angles P-C4'-P energy: -19.226
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: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -162.961120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.961120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.961120 (E_RNA)
where:
Base-Base interactions energy: -39.472
where: short stacking energy: -30.277
Base-Backbone interact. energy: 2.118
local terms energy: -125.607754
where:
bonds (distance) C4'-P energy: -34.178
bonds (distance) P-C4' energy: -41.393
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -32.009
tors. eta vs tors. theta energy: -0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -541.940400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.940400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.940400 (E_RNA)
where:
Base-Base interactions energy: -353.892
where: short stacking energy: -154.114
Base-Backbone interact. energy: -0.060
local terms energy: -187.989013
where:
bonds (distance) C4'-P energy: -36.309
bonds (distance) P-C4' energy: -36.520
flat angles C4'-P-C4' energy: -37.343
flat angles P-C4'-P energy: -26.817
tors. eta vs tors. theta energy: -51.001
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: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -533.462608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.462608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.462608 (E_RNA)
where:
Base-Base interactions energy: -347.929
where: short stacking energy: -151.657
Base-Backbone interact. energy: -1.510
local terms energy: -184.024191
where:
bonds (distance) C4'-P energy: -40.473
bonds (distance) P-C4' energy: -30.632
flat angles C4'-P-C4' energy: -37.509
flat angles P-C4'-P energy: -25.698
tors. eta vs tors. theta energy: -49.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -512.363493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.363493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.363493 (E_RNA)
where:
Base-Base interactions energy: -343.543
where: short stacking energy: -141.417
Base-Backbone interact. energy: -0.279
local terms energy: -168.542041
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -34.887
flat angles C4'-P-C4' energy: -37.161
flat angles P-C4'-P energy: -31.036
tors. eta vs tors. theta energy: -43.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -430.867447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.867447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.867447 (E_RNA)
where:
Base-Base interactions energy: -264.659
where: short stacking energy: -122.145
Base-Backbone interact. energy: 0.779
local terms energy: -166.987072
where:
bonds (distance) C4'-P energy: -30.983
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -34.338
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -39.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -369.540938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.540938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.540938 (E_RNA)
where:
Base-Base interactions energy: -227.170
where: short stacking energy: -97.303
Base-Backbone interact. energy: 1.306
local terms energy: -143.676086
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -36.908
flat angles C4'-P-C4' energy: -34.030
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -24.443
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: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -283.956805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.956805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.956805 (E_RNA)
where:
Base-Base interactions energy: -142.964
where: short stacking energy: -85.280
Base-Backbone interact. energy: -1.298
local terms energy: -139.694932
where:
bonds (distance) C4'-P energy: -28.040
bonds (distance) P-C4' energy: -36.556
flat angles C4'-P-C4' energy: -35.451
flat angles P-C4'-P energy: -26.515
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -192.993296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.993296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.993296 (E_RNA)
where:
Base-Base interactions energy: -67.367
where: short stacking energy: -65.414
Base-Backbone interact. energy: -0.302
local terms energy: -125.324591
where:
bonds (distance) C4'-P energy: -30.774
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -36.668
flat angles P-C4'-P energy: -23.273
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: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -172.263902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.263902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.263902 (E_RNA)
where:
Base-Base interactions energy: -63.348
where: short stacking energy: -45.340
Base-Backbone interact. energy: 0.376
local terms energy: -109.291486
where:
bonds (distance) C4'-P energy: -31.720
bonds (distance) P-C4' energy: -32.907
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -19.215
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: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -170.601200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.601200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.601200 (E_RNA)
where:
Base-Base interactions energy: -69.941
where: short stacking energy: -43.831
Base-Backbone interact. energy: -0.616
local terms energy: -100.044535
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -33.933
flat angles C4'-P-C4' energy: -29.056
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: 5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -154.887223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.887223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.887223 (E_RNA)
where:
Base-Base interactions energy: -61.456
where: short stacking energy: -51.297
Base-Backbone interact. energy: 0.343
local terms energy: -93.774426
where:
bonds (distance) C4'-P energy: -24.605
bonds (distance) P-C4' energy: -31.108
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -10.576
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: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -535.989106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.989106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.989106 (E_RNA)
where:
Base-Base interactions energy: -351.502
where: short stacking energy: -175.049
Base-Backbone interact. energy: -0.911
local terms energy: -183.575677
where:
bonds (distance) C4'-P energy: -33.195
bonds (distance) P-C4' energy: -32.803
flat angles C4'-P-C4' energy: -36.015
flat angles P-C4'-P energy: -23.948
tors. eta vs tors. theta energy: -57.615
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: 125
Temperature: 0.950000
Total energy: -536.289689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.289689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.289689 (E_RNA)
where:
Base-Base interactions energy: -350.711
where: short stacking energy: -150.988
Base-Backbone interact. energy: -0.437
local terms energy: -185.142224
where:
bonds (distance) C4'-P energy: -36.506
bonds (distance) P-C4' energy: -42.415
flat angles C4'-P-C4' energy: -35.801
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -51.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -474.417914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.417914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.417914 (E_RNA)
where:
Base-Base interactions energy: -304.752
where: short stacking energy: -125.956
Base-Backbone interact. energy: -0.692
local terms energy: -168.974074
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -35.872
flat angles C4'-P-C4' energy: -34.068
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -39.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -436.507185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.507185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.507185 (E_RNA)
where:
Base-Base interactions energy: -274.369
where: short stacking energy: -113.351
Base-Backbone interact. energy: -0.186
local terms energy: -161.952106
where:
bonds (distance) C4'-P energy: -34.009
bonds (distance) P-C4' energy: -37.526
flat angles C4'-P-C4' energy: -32.606
flat angles P-C4'-P energy: -22.433
tors. eta vs tors. theta energy: -35.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -422.036087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.036087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.036087 (E_RNA)
where:
Base-Base interactions energy: -279.919
where: short stacking energy: -116.798
Base-Backbone interact. energy: -1.663
local terms energy: -140.454181
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -25.967
flat angles C4'-P-C4' energy: -34.842
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -34.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -282.254436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.254436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.254436 (E_RNA)
where:
Base-Base interactions energy: -140.343
where: short stacking energy: -83.197
Base-Backbone interact. energy: -0.290
local terms energy: -141.621515
where:
bonds (distance) C4'-P energy: -36.690
bonds (distance) P-C4' energy: -31.318
flat angles C4'-P-C4' energy: -29.224
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -179.501269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.501269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.501269 (E_RNA)
where:
Base-Base interactions energy: -78.826
where: short stacking energy: -49.162
Base-Backbone interact. energy: 0.520
local terms energy: -101.195768
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -33.453
flat angles C4'-P-C4' energy: -29.470
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: 6.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -170.832480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.832480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.832480 (E_RNA)
where:
Base-Base interactions energy: -58.360
where: short stacking energy: -47.818
Base-Backbone interact. energy: 2.373
local terms energy: -114.846368
where:
bonds (distance) C4'-P energy: -32.239
bonds (distance) P-C4' energy: -34.429
flat angles C4'-P-C4' energy: -29.985
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: 1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -157.504491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.504491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.504491 (E_RNA)
where:
Base-Base interactions energy: -55.952
where: short stacking energy: -46.994
Base-Backbone interact. energy: -0.032
local terms energy: -101.520470
where:
bonds (distance) C4'-P energy: -24.340
bonds (distance) P-C4' energy: -30.930
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -23.807
tors. eta vs tors. theta energy: 1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -145.429980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.429980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.429980 (E_RNA)
where:
Base-Base interactions energy: -44.504
where: short stacking energy: -44.504
Base-Backbone interact. energy: 1.350
local terms energy: -102.275988
where:
bonds (distance) C4'-P energy: -35.734
bonds (distance) P-C4' energy: -26.045
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -18.984
tors. eta vs tors. theta energy: 5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -553.402012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.402012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.402012 (E_RNA)
where:
Base-Base interactions energy: -368.912
where: short stacking energy: -166.096
Base-Backbone interact. energy: 0.157
local terms energy: -184.646464
where:
bonds (distance) C4'-P energy: -32.836
bonds (distance) P-C4' energy: -34.885
flat angles C4'-P-C4' energy: -31.681
flat angles P-C4'-P energy: -31.060
tors. eta vs tors. theta energy: -54.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -540.308043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.308043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.308043 (E_RNA)
where:
Base-Base interactions energy: -347.405
where: short stacking energy: -161.189
Base-Backbone interact. energy: -0.776
local terms energy: -192.127072
where:
bonds (distance) C4'-P energy: -37.051
bonds (distance) P-C4' energy: -33.943
flat angles C4'-P-C4' energy: -40.887
flat angles P-C4'-P energy: -27.376
tors. eta vs tors. theta energy: -52.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -463.212008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.212008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.212008 (E_RNA)
where:
Base-Base interactions energy: -295.416
where: short stacking energy: -130.561
Base-Backbone interact. energy: -0.820
local terms energy: -166.975203
where:
bonds (distance) C4'-P energy: -37.147
bonds (distance) P-C4' energy: -33.981
flat angles C4'-P-C4' energy: -34.936
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: -37.987
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: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -424.650446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.650446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.650446 (E_RNA)
where:
Base-Base interactions energy: -276.349
where: short stacking energy: -128.071
Base-Backbone interact. energy: -0.232
local terms energy: -148.068679
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -33.139
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -43.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -392.621136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.621136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.621136 (E_RNA)
where:
Base-Base interactions energy: -251.207
where: short stacking energy: -101.821
Base-Backbone interact. energy: -0.471
local terms energy: -140.943105
where:
bonds (distance) C4'-P energy: -23.578
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -31.177
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -31.744
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: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -298.536923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.536923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.536923 (E_RNA)
where:
Base-Base interactions energy: -159.885
where: short stacking energy: -86.046
Base-Backbone interact. energy: 2.163
local terms energy: -140.815328
where:
bonds (distance) C4'-P energy: -33.463
bonds (distance) P-C4' energy: -35.972
flat angles C4'-P-C4' energy: -30.071
flat angles P-C4'-P energy: -17.727
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: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -194.565551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.565551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.565551 (E_RNA)
where:
Base-Base interactions energy: -70.487
where: short stacking energy: -50.030
Base-Backbone interact. energy: -0.640
local terms energy: -123.438591
where:
bonds (distance) C4'-P energy: -30.265
bonds (distance) P-C4' energy: -32.383
flat angles C4'-P-C4' energy: -33.090
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -157.005592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.005592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.005592 (E_RNA)
where:
Base-Base interactions energy: -51.280
where: short stacking energy: -49.118
Base-Backbone interact. energy: -0.342
local terms energy: -105.383866
where:
bonds (distance) C4'-P energy: -30.413
bonds (distance) P-C4' energy: -28.290
flat angles C4'-P-C4' energy: -27.385
flat angles P-C4'-P energy: -23.885
tors. eta vs tors. theta energy: 4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -160.455298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.455298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.455298 (E_RNA)
where:
Base-Base interactions energy: -64.266
where: short stacking energy: -49.699
Base-Backbone interact. energy: -0.473
local terms energy: -95.716317
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -29.958
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -147.149211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.149211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.149211 (E_RNA)
where:
Base-Base interactions energy: -68.558
where: short stacking energy: -52.924
Base-Backbone interact. energy: -0.507
local terms energy: -78.084255
where:
bonds (distance) C4'-P energy: -20.320
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -11.211
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: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -562.893284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.893284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.893284 (E_RNA)
where:
Base-Base interactions energy: -389.105
where: short stacking energy: -163.320
Base-Backbone interact. energy: -0.546
local terms energy: -173.242871
where:
bonds (distance) C4'-P energy: -35.241
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -37.298
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -50.937
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: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -534.839729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.839729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.839729 (E_RNA)
where:
Base-Base interactions energy: -354.271
where: short stacking energy: -165.569
Base-Backbone interact. energy: -0.374
local terms energy: -180.194252
where:
bonds (distance) C4'-P energy: -31.493
bonds (distance) P-C4' energy: -34.682
flat angles C4'-P-C4' energy: -36.839
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -57.956
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: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -449.012481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.012481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.012481 (E_RNA)
where:
Base-Base interactions energy: -295.206
where: short stacking energy: -118.399
Base-Backbone interact. energy: -0.918
local terms energy: -152.888354
where:
bonds (distance) C4'-P energy: -25.789
bonds (distance) P-C4' energy: -32.436
flat angles C4'-P-C4' energy: -36.251
flat angles P-C4'-P energy: -24.057
tors. eta vs tors. theta energy: -34.355
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: 127
Temperature: 1.050000
Total energy: -407.614520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.614520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.614520 (E_RNA)
where:
Base-Base interactions energy: -260.756
where: short stacking energy: -110.037
Base-Backbone interact. energy: -1.184
local terms energy: -145.674186
where:
bonds (distance) C4'-P energy: -32.231
bonds (distance) P-C4' energy: -29.655
flat angles C4'-P-C4' energy: -30.866
flat angles P-C4'-P energy: -26.421
tors. eta vs tors. theta energy: -26.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -439.619661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.619661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.619661 (E_RNA)
where:
Base-Base interactions energy: -272.733
where: short stacking energy: -129.273
Base-Backbone interact. energy: -0.047
local terms energy: -166.838969
where:
bonds (distance) C4'-P energy: -31.249
bonds (distance) P-C4' energy: -34.204
flat angles C4'-P-C4' energy: -39.737
flat angles P-C4'-P energy: -21.223
tors. eta vs tors. theta energy: -40.426
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: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -291.935936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.935936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.935936 (E_RNA)
where:
Base-Base interactions energy: -146.742
where: short stacking energy: -87.531
Base-Backbone interact. energy: -0.329
local terms energy: -144.865142
where:
bonds (distance) C4'-P energy: -26.103
bonds (distance) P-C4' energy: -28.621
flat angles C4'-P-C4' energy: -37.502
flat angles P-C4'-P energy: -25.431
tors. eta vs tors. theta energy: -27.208
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: 127
Temperature: 1.200000
Total energy: -198.542000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.542000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.542000 (E_RNA)
where:
Base-Base interactions energy: -66.911
where: short stacking energy: -67.811
Base-Backbone interact. energy: 0.122
local terms energy: -131.753287
where:
bonds (distance) C4'-P energy: -33.234
bonds (distance) P-C4' energy: -33.487
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -22.599
tors. eta vs tors. theta energy: -11.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -172.766179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.766179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.766179 (E_RNA)
where:
Base-Base interactions energy: -66.972
where: short stacking energy: -53.846
Base-Backbone interact. energy: -1.140
local terms energy: -104.654623
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -28.843
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -157.843527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.843527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.843527 (E_RNA)
where:
Base-Base interactions energy: -69.070
where: short stacking energy: -35.494
Base-Backbone interact. energy: -0.667
local terms energy: -88.106136
where:
bonds (distance) C4'-P energy: -30.927
bonds (distance) P-C4' energy: -38.496
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: 3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -145.848457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.848457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.848457 (E_RNA)
where:
Base-Base interactions energy: -55.941
where: short stacking energy: -28.749
Base-Backbone interact. energy: -1.325
local terms energy: -88.582118
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -32.070
flat angles C4'-P-C4' energy: -31.892
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: 9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -530.557112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.557112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.557112 (E_RNA)
where:
Base-Base interactions energy: -335.810
where: short stacking energy: -162.258
Base-Backbone interact. energy: -1.208
local terms energy: -193.539179
where:
bonds (distance) C4'-P energy: -35.986
bonds (distance) P-C4' energy: -29.313
flat angles C4'-P-C4' energy: -43.930
flat angles P-C4'-P energy: -27.283
tors. eta vs tors. theta energy: -57.028
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: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -558.555900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.555900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.555900 (E_RNA)
where:
Base-Base interactions energy: -372.304
where: short stacking energy: -155.104
Base-Backbone interact. energy: 0.947
local terms energy: -187.198397
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -39.045
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: -52.749
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: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -436.168841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.168841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.168841 (E_RNA)
where:
Base-Base interactions energy: -286.288
where: short stacking energy: -112.189
Base-Backbone interact. energy: -0.913
local terms energy: -148.968657
where:
bonds (distance) C4'-P energy: -34.562
bonds (distance) P-C4' energy: -32.512
flat angles C4'-P-C4' energy: -35.342
flat angles P-C4'-P energy: -22.732
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: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -428.014164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.014164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.014164 (E_RNA)
where:
Base-Base interactions energy: -274.845
where: short stacking energy: -122.577
Base-Backbone interact. energy: -0.123
local terms energy: -153.046838
where:
bonds (distance) C4'-P energy: -34.500
bonds (distance) P-C4' energy: -29.956
flat angles C4'-P-C4' energy: -35.445
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -30.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -409.794310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.794310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.794310 (E_RNA)
where:
Base-Base interactions energy: -257.952
where: short stacking energy: -110.079
Base-Backbone interact. energy: -0.886
local terms energy: -150.955966
where:
bonds (distance) C4'-P energy: -26.958
bonds (distance) P-C4' energy: -36.060
flat angles C4'-P-C4' energy: -33.232
flat angles P-C4'-P energy: -24.800
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: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -277.230556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.230556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.230556 (E_RNA)
where:
Base-Base interactions energy: -142.043
where: short stacking energy: -77.241
Base-Backbone interact. energy: -0.790
local terms energy: -134.398086
where:
bonds (distance) C4'-P energy: -36.028
bonds (distance) P-C4' energy: -26.923
flat angles C4'-P-C4' energy: -35.315
flat angles P-C4'-P energy: -22.689
tors. eta vs tors. theta energy: -13.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -191.333120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.333120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.333120 (E_RNA)
where:
Base-Base interactions energy: -79.714
where: short stacking energy: -72.506
Base-Backbone interact. energy: -0.499
local terms energy: -111.120300
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -30.875
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -155.117109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.117109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.117109 (E_RNA)
where:
Base-Base interactions energy: -61.682
where: short stacking energy: -46.314
Base-Backbone interact. energy: 1.825
local terms energy: -95.259942
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -33.070
flat angles C4'-P-C4' energy: -27.558
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -161.564165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.564165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.564165 (E_RNA)
where:
Base-Base interactions energy: -60.836
where: short stacking energy: -37.278
Base-Backbone interact. energy: -0.199
local terms energy: -100.529691
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -37.079
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -12.770
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: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -148.051998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.051998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.051998 (E_RNA)
where:
Base-Base interactions energy: -52.453
where: short stacking energy: -42.820
Base-Backbone interact. energy: 1.370
local terms energy: -96.969217
where:
bonds (distance) C4'-P energy: -27.750
bonds (distance) P-C4' energy: -35.880
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: 7.839
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: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -529.192350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.192350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.192350 (E_RNA)
where:
Base-Base interactions energy: -342.107
where: short stacking energy: -157.451
Base-Backbone interact. energy: 0.779
local terms energy: -187.865155
where:
bonds (distance) C4'-P energy: -31.126
bonds (distance) P-C4' energy: -40.475
flat angles C4'-P-C4' energy: -38.727
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -55.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -556.745125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.745125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.745125 (E_RNA)
where:
Base-Base interactions energy: -377.474
where: short stacking energy: -157.918
Base-Backbone interact. energy: -0.011
local terms energy: -179.260079
where:
bonds (distance) C4'-P energy: -31.536
bonds (distance) P-C4' energy: -32.256
flat angles C4'-P-C4' energy: -39.005
flat angles P-C4'-P energy: -26.211
tors. eta vs tors. theta energy: -50.252
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: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -440.657146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.657146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.657146 (E_RNA)
where:
Base-Base interactions energy: -279.714
where: short stacking energy: -114.151
Base-Backbone interact. energy: -1.208
local terms energy: -159.734281
where:
bonds (distance) C4'-P energy: -36.600
bonds (distance) P-C4' energy: -26.382
flat angles C4'-P-C4' energy: -36.607
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: -28.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -435.380862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.380862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.380862 (E_RNA)
where:
Base-Base interactions energy: -280.752
where: short stacking energy: -116.991
Base-Backbone interact. energy: 0.531
local terms energy: -155.159643
where:
bonds (distance) C4'-P energy: -35.138
bonds (distance) P-C4' energy: -35.667
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -21.690
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: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -396.177515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.177515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.177515 (E_RNA)
where:
Base-Base interactions energy: -262.073
where: short stacking energy: -96.116
Base-Backbone interact. energy: -0.907
local terms energy: -133.197786
where:
bonds (distance) C4'-P energy: -37.671
bonds (distance) P-C4' energy: -33.194
flat angles C4'-P-C4' energy: -25.428
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -23.742
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: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -284.593182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.593182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.593182 (E_RNA)
where:
Base-Base interactions energy: -168.045
where: short stacking energy: -86.647
Base-Backbone interact. energy: -0.616
local terms energy: -115.932783
where:
bonds (distance) C4'-P energy: -30.358
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -11.869
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: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -213.777950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.777950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.777950 (E_RNA)
where:
Base-Base interactions energy: -91.358
where: short stacking energy: -54.916
Base-Backbone interact. energy: 0.551
local terms energy: -122.970049
where:
bonds (distance) C4'-P energy: -31.791
bonds (distance) P-C4' energy: -35.046
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -4.703
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: 129
Temperature: 1.250000
Total energy: -173.539296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.539296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.539296 (E_RNA)
where:
Base-Base interactions energy: -70.666
where: short stacking energy: -44.299
Base-Backbone interact. energy: -0.757
local terms energy: -102.116859
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -27.049
tors. eta vs tors. theta energy: 5.566
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: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -172.844843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.844843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.844843 (E_RNA)
where:
Base-Base interactions energy: -64.475
where: short stacking energy: -54.096
Base-Backbone interact. energy: 0.948
local terms energy: -109.317920
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -34.892
flat angles C4'-P-C4' energy: -28.960
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -159.627782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.627782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.627782 (E_RNA)
where:
Base-Base interactions energy: -50.192
where: short stacking energy: -48.340
Base-Backbone interact. energy: -0.121
local terms energy: -109.314588
where:
bonds (distance) C4'-P energy: -33.003
bonds (distance) P-C4' energy: -33.750
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -3.601
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: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -566.522116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.522116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.522116 (E_RNA)
where:
Base-Base interactions energy: -377.805
where: short stacking energy: -168.739
Base-Backbone interact. energy: 0.152
local terms energy: -188.868342
where:
bonds (distance) C4'-P energy: -31.001
bonds (distance) P-C4' energy: -34.943
flat angles C4'-P-C4' energy: -38.753
flat angles P-C4'-P energy: -31.362
tors. eta vs tors. theta energy: -52.809
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: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -526.033683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.033683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.033683 (E_RNA)
where:
Base-Base interactions energy: -336.717
where: short stacking energy: -162.881
Base-Backbone interact. energy: -0.302
local terms energy: -189.014989
where:
bonds (distance) C4'-P energy: -34.653
bonds (distance) P-C4' energy: -34.358
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -30.765
tors. eta vs tors. theta energy: -58.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -445.885642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.885642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.885642 (E_RNA)
where:
Base-Base interactions energy: -292.502
where: short stacking energy: -139.394
Base-Backbone interact. energy: -0.520
local terms energy: -152.864066
where:
bonds (distance) C4'-P energy: -27.902
bonds (distance) P-C4' energy: -33.272
flat angles C4'-P-C4' energy: -32.480
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -40.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -458.309592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.309592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.309592 (E_RNA)
where:
Base-Base interactions energy: -300.883
where: short stacking energy: -131.352
Base-Backbone interact. energy: -0.194
local terms energy: -157.233247
where:
bonds (distance) C4'-P energy: -31.458
bonds (distance) P-C4' energy: -39.272
flat angles C4'-P-C4' energy: -30.573
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -34.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -405.533979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.533979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.533979 (E_RNA)
where:
Base-Base interactions energy: -261.729
where: short stacking energy: -109.103
Base-Backbone interact. energy: 0.089
local terms energy: -143.894113
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -30.366
flat angles C4'-P-C4' energy: -38.782
flat angles P-C4'-P energy: -24.676
tors. eta vs tors. theta energy: -26.637
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: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -285.427672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.427672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.427672 (E_RNA)
where:
Base-Base interactions energy: -145.280
where: short stacking energy: -73.194
Base-Backbone interact. energy: -0.623
local terms energy: -139.524933
where:
bonds (distance) C4'-P energy: -33.734
bonds (distance) P-C4' energy: -41.075
flat angles C4'-P-C4' energy: -29.890
flat angles P-C4'-P energy: -22.080
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -242.409833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.409833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.409833 (E_RNA)
where:
Base-Base interactions energy: -147.956
where: short stacking energy: -68.813
Base-Backbone interact. energy: -0.646
local terms energy: -93.807071
where:
bonds (distance) C4'-P energy: -25.910
bonds (distance) P-C4' energy: -31.962
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -168.114144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.114144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.114144 (E_RNA)
where:
Base-Base interactions energy: -67.982
where: short stacking energy: -38.691
Base-Backbone interact. energy: -2.083
local terms energy: -98.049049
where:
bonds (distance) C4'-P energy: -36.292
bonds (distance) P-C4' energy: -32.373
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: 8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -167.931410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.931410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.931410 (E_RNA)
where:
Base-Base interactions energy: -56.935
where: short stacking energy: -51.852
Base-Backbone interact. energy: 0.658
local terms energy: -111.654239
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -30.084
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -22.815
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: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -147.578764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.578764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.578764 (E_RNA)
where:
Base-Base interactions energy: -59.904
where: short stacking energy: -44.118
Base-Backbone interact. energy: -0.558
local terms energy: -87.117112
where:
bonds (distance) C4'-P energy: -26.087
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -24.173
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -575.185960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.185960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.185960 (E_RNA)
where:
Base-Base interactions energy: -384.458
where: short stacking energy: -160.828
Base-Backbone interact. energy: -0.012
local terms energy: -190.716695
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -44.005
flat angles C4'-P-C4' energy: -42.935
flat angles P-C4'-P energy: -24.947
tors. eta vs tors. theta energy: -47.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -522.349648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.349648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.349648 (E_RNA)
where:
Base-Base interactions energy: -344.389
where: short stacking energy: -157.302
Base-Backbone interact. energy: 1.114
local terms energy: -179.075446
where:
bonds (distance) C4'-P energy: -37.052
bonds (distance) P-C4' energy: -33.716
flat angles C4'-P-C4' energy: -36.218
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -50.749
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: 3, replica: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -453.919020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.919020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.919020 (E_RNA)
where:
Base-Base interactions energy: -292.514
where: short stacking energy: -141.089
Base-Backbone interact. energy: -0.926
local terms energy: -160.479461
where:
bonds (distance) C4'-P energy: -31.505
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -35.108
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: -39.029
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: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -466.268518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.268518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.268518 (E_RNA)
where:
Base-Base interactions energy: -306.585
where: short stacking energy: -127.243
Base-Backbone interact. energy: -0.206
local terms energy: -159.477288
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -33.182
flat angles C4'-P-C4' energy: -33.123
flat angles P-C4'-P energy: -25.101
tors. eta vs tors. theta energy: -40.471
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: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -397.111999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.111999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.111999 (E_RNA)
where:
Base-Base interactions energy: -249.456
where: short stacking energy: -109.551
Base-Backbone interact. energy: -0.407
local terms energy: -147.249396
where:
bonds (distance) C4'-P energy: -33.063
bonds (distance) P-C4' energy: -35.058
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -23.760
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -234.173161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.173161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.173161 (E_RNA)
where:
Base-Base interactions energy: -111.279
where: short stacking energy: -62.724
Base-Backbone interact. energy: -0.075
local terms energy: -122.819234
where:
bonds (distance) C4'-P energy: -29.607
bonds (distance) P-C4' energy: -35.137
flat angles C4'-P-C4' energy: -34.433
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -8.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -240.263688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.263688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.263688 (E_RNA)
where:
Base-Base interactions energy: -123.694
where: short stacking energy: -63.324
Base-Backbone interact. energy: -1.023
local terms energy: -115.547421
where:
bonds (distance) C4'-P energy: -32.446
bonds (distance) P-C4' energy: -36.324
flat angles C4'-P-C4' energy: -29.040
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -185.999647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.999647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.999647 (E_RNA)
where:
Base-Base interactions energy: -73.197
where: short stacking energy: -58.327
Base-Backbone interact. energy: -0.710
local terms energy: -112.092145
where:
bonds (distance) C4'-P energy: -34.016
bonds (distance) P-C4' energy: -31.702
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -26.044
tors. eta vs tors. theta energy: -3.219
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: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -160.766375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.766375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.766375 (E_RNA)
where:
Base-Base interactions energy: -49.302
where: short stacking energy: -43.546
Base-Backbone interact. energy: -1.736
local terms energy: -109.728472
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -34.454
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -162.435019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.435019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.435019 (E_RNA)
where:
Base-Base interactions energy: -64.132
where: short stacking energy: -46.226
Base-Backbone interact. energy: -0.786
local terms energy: -97.516875
where:
bonds (distance) C4'-P energy: -28.117
bonds (distance) P-C4' energy: -34.404
flat angles C4'-P-C4' energy: -25.782
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: 1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -569.987746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.987746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.987746 (E_RNA)
where:
Base-Base interactions energy: -381.505
where: short stacking energy: -162.751
Base-Backbone interact. energy: -0.647
local terms energy: -187.836244
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -38.028
flat angles P-C4'-P energy: -30.387
tors. eta vs tors. theta energy: -54.218
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: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -529.020619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.020619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.020619 (E_RNA)
where:
Base-Base interactions energy: -336.930
where: short stacking energy: -151.777
Base-Backbone interact. energy: -0.130
local terms energy: -191.961543
where:
bonds (distance) C4'-P energy: -35.858
bonds (distance) P-C4' energy: -39.635
flat angles C4'-P-C4' energy: -36.244
flat angles P-C4'-P energy: -28.227
tors. eta vs tors. theta energy: -51.998
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: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -494.152499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.152499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.152499 (E_RNA)
where:
Base-Base interactions energy: -328.854
where: short stacking energy: -122.250
Base-Backbone interact. energy: -0.805
local terms energy: -164.493096
where:
bonds (distance) C4'-P energy: -34.914
bonds (distance) P-C4' energy: -34.031
flat angles C4'-P-C4' energy: -37.744
flat angles P-C4'-P energy: -26.144
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: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -435.756156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.756156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.756156 (E_RNA)
where:
Base-Base interactions energy: -287.191
where: short stacking energy: -129.857
Base-Backbone interact. energy: -0.389
local terms energy: -148.175939
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -34.456
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -22.537
tors. eta vs tors. theta energy: -31.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -403.294382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.294382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.294382 (E_RNA)
where:
Base-Base interactions energy: -258.848
where: short stacking energy: -111.448
Base-Backbone interact. energy: -0.416
local terms energy: -144.029899
where:
bonds (distance) C4'-P energy: -32.518
bonds (distance) P-C4' energy: -30.917
flat angles C4'-P-C4' energy: -28.326
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -34.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -252.423073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.423073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.423073 (E_RNA)
where:
Base-Base interactions energy: -122.917
where: short stacking energy: -64.204
Base-Backbone interact. energy: -0.618
local terms energy: -128.887725
where:
bonds (distance) C4'-P energy: -35.444
bonds (distance) P-C4' energy: -33.049
flat angles C4'-P-C4' energy: -29.104
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -249.182965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.182965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.182965 (E_RNA)
where:
Base-Base interactions energy: -127.714
where: short stacking energy: -75.264
Base-Backbone interact. energy: -0.158
local terms energy: -121.311025
where:
bonds (distance) C4'-P energy: -35.638
bonds (distance) P-C4' energy: -31.049
flat angles C4'-P-C4' energy: -28.635
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -235.637280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.637280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.637280 (E_RNA)
where:
Base-Base interactions energy: -118.051
where: short stacking energy: -63.044
Base-Backbone interact. energy: -0.427
local terms energy: -117.159949
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -32.750
flat angles C4'-P-C4' energy: -34.944
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -184.786749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.786749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.786749 (E_RNA)
where:
Base-Base interactions energy: -77.573
where: short stacking energy: -45.417
Base-Backbone interact. energy: 0.230
local terms energy: -107.443959
where:
bonds (distance) C4'-P energy: -31.369
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -32.503
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: 2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -158.329788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.329788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.329788 (E_RNA)
where:
Base-Base interactions energy: -57.843
where: short stacking energy: -31.898
Base-Backbone interact. energy: 0.278
local terms energy: -100.764394
where:
bonds (distance) C4'-P energy: -29.738
bonds (distance) P-C4' energy: -31.080
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: 0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -573.246215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.246215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.246215 (E_RNA)
where:
Base-Base interactions energy: -396.458
where: short stacking energy: -158.008
Base-Backbone interact. energy: -0.012
local terms energy: -176.776583
where:
bonds (distance) C4'-P energy: -31.221
bonds (distance) P-C4' energy: -32.572
flat angles C4'-P-C4' energy: -41.173
flat angles P-C4'-P energy: -26.203
tors. eta vs tors. theta energy: -45.607
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: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -532.983909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.983909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.983909 (E_RNA)
where:
Base-Base interactions energy: -350.010
where: short stacking energy: -151.084
Base-Backbone interact. energy: 0.213
local terms energy: -183.186867
where:
bonds (distance) C4'-P energy: -34.468
bonds (distance) P-C4' energy: -36.768
flat angles C4'-P-C4' energy: -39.853
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -48.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -500.049353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.049353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.049353 (E_RNA)
where:
Base-Base interactions energy: -340.357
where: short stacking energy: -129.911
Base-Backbone interact. energy: -0.563
local terms energy: -159.129343
where:
bonds (distance) C4'-P energy: -28.758
bonds (distance) P-C4' energy: -37.366
flat angles C4'-P-C4' energy: -36.631
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: -38.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -415.460798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.460798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.460798 (E_RNA)
where:
Base-Base interactions energy: -250.394
where: short stacking energy: -112.369
Base-Backbone interact. energy: -1.399
local terms energy: -163.668114
where:
bonds (distance) C4'-P energy: -28.695
bonds (distance) P-C4' energy: -40.568
flat angles C4'-P-C4' energy: -34.782
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -37.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -431.870785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.870785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.870785 (E_RNA)
where:
Base-Base interactions energy: -272.323
where: short stacking energy: -102.940
Base-Backbone interact. energy: -1.309
local terms energy: -158.239379
where:
bonds (distance) C4'-P energy: -35.790
bonds (distance) P-C4' energy: -34.288
flat angles C4'-P-C4' energy: -32.596
flat angles P-C4'-P energy: -25.890
tors. eta vs tors. theta energy: -29.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -291.408121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.408121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.408121 (E_RNA)
where:
Base-Base interactions energy: -151.222
where: short stacking energy: -77.919
Base-Backbone interact. energy: -0.284
local terms energy: -139.902476
where:
bonds (distance) C4'-P energy: -35.623
bonds (distance) P-C4' energy: -34.636
flat angles C4'-P-C4' energy: -32.661
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -243.105339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.105339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.105339 (E_RNA)
where:
Base-Base interactions energy: -111.892
where: short stacking energy: -72.425
Base-Backbone interact. energy: 0.031
local terms energy: -131.244369
where:
bonds (distance) C4'-P energy: -39.099
bonds (distance) P-C4' energy: -38.273
flat angles C4'-P-C4' energy: -24.970
flat angles P-C4'-P energy: -20.877
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -214.121114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.121114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.121114 (E_RNA)
where:
Base-Base interactions energy: -100.247
where: short stacking energy: -59.614
Base-Backbone interact. energy: -0.157
local terms energy: -113.717362
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -37.685
flat angles C4'-P-C4' energy: -25.933
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -11.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -186.336285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.336285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.336285 (E_RNA)
where:
Base-Base interactions energy: -94.885
where: short stacking energy: -57.451
Base-Backbone interact. energy: -0.922
local terms energy: -90.529586
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -32.560
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -144.615385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.615385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.615385 (E_RNA)
where:
Base-Base interactions energy: -47.096
where: short stacking energy: -45.013
Base-Backbone interact. energy: 1.345
local terms energy: -98.864695
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -28.403
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: 3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -541.901877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.901877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.901877 (E_RNA)
where:
Base-Base interactions energy: -348.169
where: short stacking energy: -159.778
Base-Backbone interact. energy: -0.219
local terms energy: -193.514469
where:
bonds (distance) C4'-P energy: -32.791
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -35.985
flat angles P-C4'-P energy: -29.752
tors. eta vs tors. theta energy: -58.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -556.291780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.291780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.291780 (E_RNA)
where:
Base-Base interactions energy: -385.480
where: short stacking energy: -159.005
Base-Backbone interact. energy: -0.607
local terms energy: -170.204676
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -33.813
flat angles C4'-P-C4' energy: -36.735
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -53.118
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: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -497.169449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.169449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.169449 (E_RNA)
where:
Base-Base interactions energy: -342.304
where: short stacking energy: -131.975
Base-Backbone interact. energy: -1.278
local terms energy: -153.587553
where:
bonds (distance) C4'-P energy: -31.680
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -33.479
flat angles P-C4'-P energy: -22.198
tors. eta vs tors. theta energy: -32.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -399.131264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.131264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.131264 (E_RNA)
where:
Base-Base interactions energy: -248.895
where: short stacking energy: -111.414
Base-Backbone interact. energy: -1.019
local terms energy: -149.216793
where:
bonds (distance) C4'-P energy: -33.502
bonds (distance) P-C4' energy: -32.582
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -409.367547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.367547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.367547 (E_RNA)
where:
Base-Base interactions energy: -257.710
where: short stacking energy: -110.705
Base-Backbone interact. energy: 2.875
local terms energy: -154.532624
where:
bonds (distance) C4'-P energy: -39.128
bonds (distance) P-C4' energy: -30.991
flat angles C4'-P-C4' energy: -42.261
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -26.110
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: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -287.211364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.211364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.211364 (E_RNA)
where:
Base-Base interactions energy: -148.001
where: short stacking energy: -76.461
Base-Backbone interact. energy: 0.510
local terms energy: -139.720411
where:
bonds (distance) C4'-P energy: -39.470
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -191.844722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.844722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.844722 (E_RNA)
where:
Base-Base interactions energy: -66.054
where: short stacking energy: -48.395
Base-Backbone interact. energy: -0.292
local terms energy: -125.498575
where:
bonds (distance) C4'-P energy: -37.750
bonds (distance) P-C4' energy: -33.712
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -190.478366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.478366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.478366 (E_RNA)
where:
Base-Base interactions energy: -93.779
where: short stacking energy: -37.060
Base-Backbone interact. energy: 2.246
local terms energy: -98.944881
where:
bonds (distance) C4'-P energy: -36.010
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -20.357
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -155.361531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.361531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.361531 (E_RNA)
where:
Base-Base interactions energy: -64.262
where: short stacking energy: -50.207
Base-Backbone interact. energy: -0.352
local terms energy: -90.746796
where:
bonds (distance) C4'-P energy: -23.454
bonds (distance) P-C4' energy: -33.632
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: 1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -161.651711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.651711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.651711 (E_RNA)
where:
Base-Base interactions energy: -55.996
where: short stacking energy: -40.493
Base-Backbone interact. energy: -0.529
local terms energy: -105.126738
where:
bonds (distance) C4'-P energy: -33.652
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -15.905
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: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -538.200334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.200334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.200334 (E_RNA)
where:
Base-Base interactions energy: -354.238
where: short stacking energy: -169.251
Base-Backbone interact. energy: -0.067
local terms energy: -183.895029
where:
bonds (distance) C4'-P energy: -33.967
bonds (distance) P-C4' energy: -29.289
flat angles C4'-P-C4' energy: -36.693
flat angles P-C4'-P energy: -25.464
tors. eta vs tors. theta energy: -58.482
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: 135
Temperature: 0.950000
Total energy: -554.155181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.155181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.155181 (E_RNA)
where:
Base-Base interactions energy: -378.785
where: short stacking energy: -157.818
Base-Backbone interact. energy: 0.542
local terms energy: -175.912280
where:
bonds (distance) C4'-P energy: -33.713
bonds (distance) P-C4' energy: -29.915
flat angles C4'-P-C4' energy: -32.153
flat angles P-C4'-P energy: -23.733
tors. eta vs tors. theta energy: -56.398
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: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -504.165095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.165095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.165095 (E_RNA)
where:
Base-Base interactions energy: -337.415
where: short stacking energy: -140.595
Base-Backbone interact. energy: -0.681
local terms energy: -166.069394
where:
bonds (distance) C4'-P energy: -25.022
bonds (distance) P-C4' energy: -33.263
flat angles C4'-P-C4' energy: -37.773
flat angles P-C4'-P energy: -26.382
tors. eta vs tors. theta energy: -43.628
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: 135
Temperature: 1.050000
Total energy: -396.469276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.469276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.469276 (E_RNA)
where:
Base-Base interactions energy: -250.539
where: short stacking energy: -120.105
Base-Backbone interact. energy: -0.421
local terms energy: -145.508828
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -28.586
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: -28.787
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: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -401.369412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.369412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.369412 (E_RNA)
where:
Base-Base interactions energy: -256.391
where: short stacking energy: -110.358
Base-Backbone interact. energy: -0.464
local terms energy: -144.513791
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -32.755
flat angles C4'-P-C4' energy: -30.320
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -30.323
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: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -291.177825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.177825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.177825 (E_RNA)
where:
Base-Base interactions energy: -151.535
where: short stacking energy: -89.172
Base-Backbone interact. energy: -0.607
local terms energy: -139.036297
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -35.252
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -22.495
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -172.071030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.071030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.071030 (E_RNA)
where:
Base-Base interactions energy: -70.239
where: short stacking energy: -52.566
Base-Backbone interact. energy: 0.888
local terms energy: -102.719795
where:
bonds (distance) C4'-P energy: -32.540
bonds (distance) P-C4' energy: -32.421
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -189.658121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.658121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.658121 (E_RNA)
where:
Base-Base interactions energy: -73.716
where: short stacking energy: -59.401
Base-Backbone interact. energy: 1.426
local terms energy: -117.367497
where:
bonds (distance) C4'-P energy: -30.071
bonds (distance) P-C4' energy: -36.389
flat angles C4'-P-C4' energy: -27.517
flat angles P-C4'-P energy: -11.947
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: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -170.223129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.223129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.223129 (E_RNA)
where:
Base-Base interactions energy: -57.153
where: short stacking energy: -42.468
Base-Backbone interact. energy: -1.012
local terms energy: -112.057617
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -36.143
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -147.709097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.709097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.709097 (E_RNA)
where:
Base-Base interactions energy: -42.751
where: short stacking energy: -33.732
Base-Backbone interact. energy: -1.146
local terms energy: -103.811980
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -29.344
flat angles C4'-P-C4' energy: -32.794
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: 4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -566.288930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.288930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.288930 (E_RNA)
where:
Base-Base interactions energy: -390.393
where: short stacking energy: -175.190
Base-Backbone interact. energy: 0.038
local terms energy: -175.934308
where:
bonds (distance) C4'-P energy: -32.755
bonds (distance) P-C4' energy: -31.396
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: -55.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -538.883868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.883868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.883868 (E_RNA)
where:
Base-Base interactions energy: -339.507
where: short stacking energy: -176.056
Base-Backbone interact. energy: 0.200
local terms energy: -199.576912
where:
bonds (distance) C4'-P energy: -36.957
bonds (distance) P-C4' energy: -37.447
flat angles C4'-P-C4' energy: -37.392
flat angles P-C4'-P energy: -27.869
tors. eta vs tors. theta energy: -59.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -488.116578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.116578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.116578 (E_RNA)
where:
Base-Base interactions energy: -331.130
where: short stacking energy: -134.322
Base-Backbone interact. energy: 2.973
local terms energy: -159.959877
where:
bonds (distance) C4'-P energy: -33.069
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -39.004
flat angles P-C4'-P energy: -26.064
tors. eta vs tors. theta energy: -32.484
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: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -408.016448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.016448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.016448 (E_RNA)
where:
Base-Base interactions energy: -241.763
where: short stacking energy: -114.301
Base-Backbone interact. energy: -1.033
local terms energy: -165.220618
where:
bonds (distance) C4'-P energy: -29.418
bonds (distance) P-C4' energy: -36.135
flat angles C4'-P-C4' energy: -33.292
flat angles P-C4'-P energy: -32.601
tors. eta vs tors. theta energy: -33.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -408.567989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.567989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.567989 (E_RNA)
where:
Base-Base interactions energy: -267.240
where: short stacking energy: -112.459
Base-Backbone interact. energy: -1.560
local terms energy: -139.768790
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -34.763
flat angles C4'-P-C4' energy: -32.582
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -34.321
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: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -296.103299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.103299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.103299 (E_RNA)
where:
Base-Base interactions energy: -162.489
where: short stacking energy: -80.134
Base-Backbone interact. energy: -1.922
local terms energy: -131.691688
where:
bonds (distance) C4'-P energy: -35.819
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -25.332
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: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -178.818042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.818042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.818042 (E_RNA)
where:
Base-Base interactions energy: -66.088
where: short stacking energy: -49.928
Base-Backbone interact. energy: -0.315
local terms energy: -112.414902
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -36.457
flat angles C4'-P-C4' energy: -29.489
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -159.897993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.897993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.897993 (E_RNA)
where:
Base-Base interactions energy: -42.503
where: short stacking energy: -38.124
Base-Backbone interact. energy: -0.638
local terms energy: -116.756355
where:
bonds (distance) C4'-P energy: -37.320
bonds (distance) P-C4' energy: -41.130
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: 1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -169.244685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.244685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.244685 (E_RNA)
where:
Base-Base interactions energy: -59.920
where: short stacking energy: -49.565
Base-Backbone interact. energy: -1.087
local terms energy: -108.237884
where:
bonds (distance) C4'-P energy: -33.780
bonds (distance) P-C4' energy: -32.184
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: 1.880
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: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -155.662645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.662645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.662645 (E_RNA)
where:
Base-Base interactions energy: -66.399
where: short stacking energy: -46.225
Base-Backbone interact. energy: -0.117
local terms energy: -89.146766
where:
bonds (distance) C4'-P energy: -26.165
bonds (distance) P-C4' energy: -24.488
flat angles C4'-P-C4' energy: -23.982
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: 6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -573.079267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.079267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.079267 (E_RNA)
where:
Base-Base interactions energy: -384.909
where: short stacking energy: -168.715
Base-Backbone interact. energy: -0.506
local terms energy: -187.664253
where:
bonds (distance) C4'-P energy: -35.576
bonds (distance) P-C4' energy: -34.423
flat angles C4'-P-C4' energy: -37.792
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -58.969
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: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -517.897434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.897434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.897434 (E_RNA)
where:
Base-Base interactions energy: -330.652
where: short stacking energy: -150.013
Base-Backbone interact. energy: -0.211
local terms energy: -187.034704
where:
bonds (distance) C4'-P energy: -36.949
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -33.801
flat angles P-C4'-P energy: -29.105
tors. eta vs tors. theta energy: -55.657
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: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -476.997947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.997947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.997947 (E_RNA)
where:
Base-Base interactions energy: -322.286
where: short stacking energy: -136.504
Base-Backbone interact. energy: -0.842
local terms energy: -153.869201
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -36.907
flat angles C4'-P-C4' energy: -32.048
flat angles P-C4'-P energy: -20.821
tors. eta vs tors. theta energy: -38.801
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: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -442.701625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.701625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.701625 (E_RNA)
where:
Base-Base interactions energy: -278.076
where: short stacking energy: -113.697
Base-Backbone interact. energy: -0.622
local terms energy: -164.004156
where:
bonds (distance) C4'-P energy: -35.788
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -31.857
flat angles P-C4'-P energy: -26.282
tors. eta vs tors. theta energy: -36.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -390.716255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.716255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.716255 (E_RNA)
where:
Base-Base interactions energy: -238.495
where: short stacking energy: -115.891
Base-Backbone interact. energy: 0.084
local terms energy: -152.304665
where:
bonds (distance) C4'-P energy: -25.836
bonds (distance) P-C4' energy: -31.944
flat angles C4'-P-C4' energy: -36.093
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -36.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -327.921406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.921406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.921406 (E_RNA)
where:
Base-Base interactions energy: -206.234
where: short stacking energy: -96.588
Base-Backbone interact. energy: -0.778
local terms energy: -120.909853
where:
bonds (distance) C4'-P energy: -33.640
bonds (distance) P-C4' energy: -31.635
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -177.934222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.934222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.934222 (E_RNA)
where:
Base-Base interactions energy: -58.771
where: short stacking energy: -45.164
Base-Backbone interact. energy: 0.123
local terms energy: -119.286847
where:
bonds (distance) C4'-P energy: -32.381
bonds (distance) P-C4' energy: -29.759
flat angles C4'-P-C4' energy: -34.177
flat angles P-C4'-P energy: -24.578
tors. eta vs tors. theta energy: 1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -182.285845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.285845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.285845 (E_RNA)
where:
Base-Base interactions energy: -58.499
where: short stacking energy: -49.996
Base-Backbone interact. energy: -0.079
local terms energy: -123.707238
where:
bonds (distance) C4'-P energy: -29.705
bonds (distance) P-C4' energy: -33.720
flat angles C4'-P-C4' energy: -27.805
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -8.542
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: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -148.580455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.580455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.580455 (E_RNA)
where:
Base-Base interactions energy: -49.100
where: short stacking energy: -37.615
Base-Backbone interact. energy: 0.832
local terms energy: -100.312703
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -38.941
flat angles C4'-P-C4' energy: -22.635
flat angles P-C4'-P energy: -19.409
tors. eta vs tors. theta energy: 7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -146.015589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.015589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.015589 (E_RNA)
where:
Base-Base interactions energy: -42.535
where: short stacking energy: -32.601
Base-Backbone interact. energy: 0.854
local terms energy: -104.334357
where:
bonds (distance) C4'-P energy: -34.124
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -25.777
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -556.419212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.419212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.419212 (E_RNA)
where:
Base-Base interactions energy: -368.034
where: short stacking energy: -157.543
Base-Backbone interact. energy: -0.155
local terms energy: -188.230018
where:
bonds (distance) C4'-P energy: -37.273
bonds (distance) P-C4' energy: -38.569
flat angles C4'-P-C4' energy: -37.611
flat angles P-C4'-P energy: -21.244
tors. eta vs tors. theta energy: -53.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -514.263461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.263461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.263461 (E_RNA)
where:
Base-Base interactions energy: -331.531
where: short stacking energy: -157.965
Base-Backbone interact. energy: -0.125
local terms energy: -182.607976
where:
bonds (distance) C4'-P energy: -31.405
bonds (distance) P-C4' energy: -35.135
flat angles C4'-P-C4' energy: -39.578
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -52.549
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: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -476.613112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.613112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.613112 (E_RNA)
where:
Base-Base interactions energy: -320.552
where: short stacking energy: -132.960
Base-Backbone interact. energy: -0.277
local terms energy: -155.784688
where:
bonds (distance) C4'-P energy: -34.240
bonds (distance) P-C4' energy: -31.428
flat angles C4'-P-C4' energy: -33.008
flat angles P-C4'-P energy: -20.685
tors. eta vs tors. theta energy: -36.425
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: 138
Temperature: 1.050000
Total energy: -465.998728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.998728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.998728 (E_RNA)
where:
Base-Base interactions energy: -308.176
where: short stacking energy: -121.266
Base-Backbone interact. energy: -0.293
local terms energy: -157.528890
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -32.639
flat angles C4'-P-C4' energy: -35.609
flat angles P-C4'-P energy: -23.971
tors. eta vs tors. theta energy: -37.714
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: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -417.660066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.660066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.660066 (E_RNA)
where:
Base-Base interactions energy: -257.302
where: short stacking energy: -116.007
Base-Backbone interact. energy: 0.840
local terms energy: -161.198275
where:
bonds (distance) C4'-P energy: -32.281
bonds (distance) P-C4' energy: -36.744
flat angles C4'-P-C4' energy: -33.905
flat angles P-C4'-P energy: -23.914
tors. eta vs tors. theta energy: -34.354
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: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -306.238854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.238854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.238854 (E_RNA)
where:
Base-Base interactions energy: -172.625
where: short stacking energy: -87.920
Base-Backbone interact. energy: 0.239
local terms energy: -133.853541
where:
bonds (distance) C4'-P energy: -25.222
bonds (distance) P-C4' energy: -34.960
flat angles C4'-P-C4' energy: -31.985
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -226.588310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.588310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.588310 (E_RNA)
where:
Base-Base interactions energy: -97.840
where: short stacking energy: -64.499
Base-Backbone interact. energy: -0.531
local terms energy: -128.217561
where:
bonds (distance) C4'-P energy: -29.917
bonds (distance) P-C4' energy: -36.525
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -183.246245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.246245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.246245 (E_RNA)
where:
Base-Base interactions energy: -62.468
where: short stacking energy: -59.167
Base-Backbone interact. energy: -1.256
local terms energy: -119.522465
where:
bonds (distance) C4'-P energy: -32.829
bonds (distance) P-C4' energy: -35.816
flat angles C4'-P-C4' energy: -32.028
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -155.906881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.906881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.906881 (E_RNA)
where:
Base-Base interactions energy: -61.576
where: short stacking energy: -52.007
Base-Backbone interact. energy: -0.245
local terms energy: -94.086408
where:
bonds (distance) C4'-P energy: -30.408
bonds (distance) P-C4' energy: -34.976
flat angles C4'-P-C4' energy: -7.925
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -152.049565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.049565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.049565 (E_RNA)
where:
Base-Base interactions energy: -61.981
where: short stacking energy: -44.613
Base-Backbone interact. energy: 0.436
local terms energy: -90.504413
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -32.108
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -558.424356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.424356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.424356 (E_RNA)
where:
Base-Base interactions energy: -361.626
where: short stacking energy: -159.869
Base-Backbone interact. energy: -1.937
local terms energy: -194.861959
where:
bonds (distance) C4'-P energy: -34.826
bonds (distance) P-C4' energy: -36.309
flat angles C4'-P-C4' energy: -40.383
flat angles P-C4'-P energy: -29.928
tors. eta vs tors. theta energy: -53.416
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: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -515.567664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.567664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.567664 (E_RNA)
where:
Base-Base interactions energy: -335.798
where: short stacking energy: -161.225
Base-Backbone interact. energy: -0.049
local terms energy: -179.720668
where:
bonds (distance) C4'-P energy: -28.970
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -40.930
flat angles P-C4'-P energy: -23.199
tors. eta vs tors. theta energy: -52.381
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: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -493.154620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.154620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.154620 (E_RNA)
where:
Base-Base interactions energy: -318.858
where: short stacking energy: -138.276
Base-Backbone interact. energy: -0.659
local terms energy: -173.638057
where:
bonds (distance) C4'-P energy: -33.114
bonds (distance) P-C4' energy: -40.302
flat angles C4'-P-C4' energy: -34.473
flat angles P-C4'-P energy: -23.751
tors. eta vs tors. theta energy: -41.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -491.559202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.559202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.559202 (E_RNA)
where:
Base-Base interactions energy: -336.026
where: short stacking energy: -143.737
Base-Backbone interact. energy: -0.678
local terms energy: -154.854796
where:
bonds (distance) C4'-P energy: -27.393
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -36.662
flat angles P-C4'-P energy: -24.976
tors. eta vs tors. theta energy: -44.927
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: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -406.621895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.621895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.621895 (E_RNA)
where:
Base-Base interactions energy: -248.905
where: short stacking energy: -102.786
Base-Backbone interact. energy: -0.503
local terms energy: -157.214341
where:
bonds (distance) C4'-P energy: -34.891
bonds (distance) P-C4' energy: -34.155
flat angles C4'-P-C4' energy: -32.788
flat angles P-C4'-P energy: -26.903
tors. eta vs tors. theta energy: -28.478
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: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -348.648311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.648311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.648311 (E_RNA)
where:
Base-Base interactions energy: -221.223
where: short stacking energy: -89.528
Base-Backbone interact. energy: 0.841
local terms energy: -128.266110
where:
bonds (distance) C4'-P energy: -30.713
bonds (distance) P-C4' energy: -31.619
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -247.307634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.307634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.307634 (E_RNA)
where:
Base-Base interactions energy: -123.295
where: short stacking energy: -62.903
Base-Backbone interact. energy: -2.222
local terms energy: -121.790628
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -37.583
flat angles C4'-P-C4' energy: -32.740
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -172.150460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.150460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.150460 (E_RNA)
where:
Base-Base interactions energy: -72.546
where: short stacking energy: -48.097
Base-Backbone interact. energy: 1.245
local terms energy: -100.850059
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -35.936
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -160.144504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.144504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.144504 (E_RNA)
where:
Base-Base interactions energy: -55.831
where: short stacking energy: -46.272
Base-Backbone interact. energy: -0.597
local terms energy: -103.716802
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -31.165
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -138.715794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.715794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.715794 (E_RNA)
where:
Base-Base interactions energy: -60.952
where: short stacking energy: -41.129
Base-Backbone interact. energy: -0.217
local terms energy: -77.546285
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: 11.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -524.934168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.934168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.934168 (E_RNA)
where:
Base-Base interactions energy: -339.819
where: short stacking energy: -158.946
Base-Backbone interact. energy: -0.283
local terms energy: -184.832857
where:
bonds (distance) C4'-P energy: -32.234
bonds (distance) P-C4' energy: -28.945
flat angles C4'-P-C4' energy: -41.893
flat angles P-C4'-P energy: -28.599
tors. eta vs tors. theta energy: -53.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -550.850477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.850477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.850477 (E_RNA)
where:
Base-Base interactions energy: -361.871
where: short stacking energy: -152.118
Base-Backbone interact. energy: -0.287
local terms energy: -188.693142
where:
bonds (distance) C4'-P energy: -36.575
bonds (distance) P-C4' energy: -34.834
flat angles C4'-P-C4' energy: -38.734
flat angles P-C4'-P energy: -28.123
tors. eta vs tors. theta energy: -50.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -493.943856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.943856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.943856 (E_RNA)
where:
Base-Base interactions energy: -332.676
where: short stacking energy: -146.198
Base-Backbone interact. energy: -0.486
local terms energy: -160.782338
where:
bonds (distance) C4'-P energy: -28.607
bonds (distance) P-C4' energy: -33.932
flat angles C4'-P-C4' energy: -38.637
flat angles P-C4'-P energy: -22.608
tors. eta vs tors. theta energy: -36.998
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: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -463.987672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.987672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.987672 (E_RNA)
where:
Base-Base interactions energy: -304.458
where: short stacking energy: -117.616
Base-Backbone interact. energy: -0.777
local terms energy: -158.753254
where:
bonds (distance) C4'-P energy: -33.192
bonds (distance) P-C4' energy: -31.055
flat angles C4'-P-C4' energy: -30.600
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -43.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -374.229176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.229176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.229176 (E_RNA)
where:
Base-Base interactions energy: -246.477
where: short stacking energy: -103.767
Base-Backbone interact. energy: -1.280
local terms energy: -126.472468
where:
bonds (distance) C4'-P energy: -27.855
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -13.462
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: 6, replica: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -400.376466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.376466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.376466 (E_RNA)
where:
Base-Base interactions energy: -238.348
where: short stacking energy: -114.597
Base-Backbone interact. energy: -0.586
local terms energy: -161.442537
where:
bonds (distance) C4'-P energy: -37.797
bonds (distance) P-C4' energy: -32.044
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -36.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -286.528107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.528107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.528107 (E_RNA)
where:
Base-Base interactions energy: -154.189
where: short stacking energy: -77.805
Base-Backbone interact. energy: -0.476
local terms energy: -131.863865
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -38.150
flat angles C4'-P-C4' energy: -26.811
flat angles P-C4'-P energy: -18.171
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -174.130816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.130816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.130816 (E_RNA)
where:
Base-Base interactions energy: -62.769
where: short stacking energy: -48.674
Base-Backbone interact. energy: -0.600
local terms energy: -110.761552
where:
bonds (distance) C4'-P energy: -31.511
bonds (distance) P-C4' energy: -31.029
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -23.806
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: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -162.439783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.439783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.439783 (E_RNA)
where:
Base-Base interactions energy: -55.455
where: short stacking energy: -36.201
Base-Backbone interact. energy: -0.824
local terms energy: -106.160902
where:
bonds (distance) C4'-P energy: -31.500
bonds (distance) P-C4' energy: -32.171
flat angles C4'-P-C4' energy: -29.358
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: 5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -153.247529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.247529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.247529 (E_RNA)
where:
Base-Base interactions energy: -52.052
where: short stacking energy: -33.987
Base-Backbone interact. energy: -1.088
local terms energy: -100.107467
where:
bonds (distance) C4'-P energy: -31.730
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: 0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -539.691856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.691856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.691856 (E_RNA)
where:
Base-Base interactions energy: -351.434
where: short stacking energy: -170.278
Base-Backbone interact. energy: -0.121
local terms energy: -188.137195
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -41.340
flat angles P-C4'-P energy: -25.401
tors. eta vs tors. theta energy: -61.136
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: 141
Temperature: 0.950000
Total energy: -531.970193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.970193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.970193 (E_RNA)
where:
Base-Base interactions energy: -355.703
where: short stacking energy: -151.916
Base-Backbone interact. energy: 0.256
local terms energy: -176.522659
where:
bonds (distance) C4'-P energy: -35.443
bonds (distance) P-C4' energy: -34.354
flat angles C4'-P-C4' energy: -31.447
flat angles P-C4'-P energy: -26.406
tors. eta vs tors. theta energy: -48.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -476.277242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.277242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.277242 (E_RNA)
where:
Base-Base interactions energy: -320.072
where: short stacking energy: -127.583
Base-Backbone interact. energy: -1.182
local terms energy: -155.022477
where:
bonds (distance) C4'-P energy: -34.551
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -31.105
flat angles P-C4'-P energy: -28.611
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: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -469.496084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.496084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.496084 (E_RNA)
where:
Base-Base interactions energy: -304.777
where: short stacking energy: -138.261
Base-Backbone interact. energy: 0.073
local terms energy: -164.792318
where:
bonds (distance) C4'-P energy: -32.204
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -32.279
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -41.153
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: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -377.538894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.538894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.538894 (E_RNA)
where:
Base-Base interactions energy: -236.514
where: short stacking energy: -97.211
Base-Backbone interact. energy: -1.214
local terms energy: -139.810760
where:
bonds (distance) C4'-P energy: -32.060
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -35.472
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -25.238
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: 141
Temperature: 1.150000
Total energy: -291.781178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.781178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.781178 (E_RNA)
where:
Base-Base interactions energy: -161.679
where: short stacking energy: -75.075
Base-Backbone interact. energy: -0.166
local terms energy: -129.936219
where:
bonds (distance) C4'-P energy: -28.713
bonds (distance) P-C4' energy: -35.962
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -378.404994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.404994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.404994 (E_RNA)
where:
Base-Base interactions energy: -235.259
where: short stacking energy: -108.852
Base-Backbone interact. energy: -0.323
local terms energy: -142.823432
where:
bonds (distance) C4'-P energy: -26.459
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -31.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -179.018585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.018585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.018585 (E_RNA)
where:
Base-Base interactions energy: -63.266
where: short stacking energy: -39.196
Base-Backbone interact. energy: 0.910
local terms energy: -116.663272
where:
bonds (distance) C4'-P energy: -24.360
bonds (distance) P-C4' energy: -38.702
flat angles C4'-P-C4' energy: -35.158
flat angles P-C4'-P energy: -24.800
tors. eta vs tors. theta energy: 6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -182.789976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.789976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.789976 (E_RNA)
where:
Base-Base interactions energy: -81.037
where: short stacking energy: -45.231
Base-Backbone interact. energy: -0.655
local terms energy: -101.098024
where:
bonds (distance) C4'-P energy: -30.273
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -31.586
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -152.773050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.773050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.773050 (E_RNA)
where:
Base-Base interactions energy: -51.757
where: short stacking energy: -31.900
Base-Backbone interact. energy: -1.775
local terms energy: -99.241125
where:
bonds (distance) C4'-P energy: -31.559
bonds (distance) P-C4' energy: -35.318
flat angles C4'-P-C4' energy: -26.910
flat angles P-C4'-P energy: -8.187
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: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -549.732679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.732679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.732679 (E_RNA)
where:
Base-Base interactions energy: -357.571
where: short stacking energy: -145.401
Base-Backbone interact. energy: -0.416
local terms energy: -191.746003
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -37.979
flat angles C4'-P-C4' energy: -39.327
flat angles P-C4'-P energy: -32.802
tors. eta vs tors. theta energy: -47.886
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: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -537.725022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.725022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.725022 (E_RNA)
where:
Base-Base interactions energy: -363.084
where: short stacking energy: -165.552
Base-Backbone interact. energy: -1.152
local terms energy: -173.489789
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -33.757
flat angles C4'-P-C4' energy: -35.483
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -58.991
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: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -486.692610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.692610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.692610 (E_RNA)
where:
Base-Base interactions energy: -329.071
where: short stacking energy: -126.101
Base-Backbone interact. energy: 0.490
local terms energy: -158.111853
where:
bonds (distance) C4'-P energy: -35.618
bonds (distance) P-C4' energy: -35.373
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -27.673
tors. eta vs tors. theta energy: -28.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -471.453575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.453575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.453575 (E_RNA)
where:
Base-Base interactions energy: -312.560
where: short stacking energy: -123.525
Base-Backbone interact. energy: 0.595
local terms energy: -159.488709
where:
bonds (distance) C4'-P energy: -34.187
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -35.323
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -36.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -389.289529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.289529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.289529 (E_RNA)
where:
Base-Base interactions energy: -255.238
where: short stacking energy: -109.859
Base-Backbone interact. energy: -0.305
local terms energy: -133.747056
where:
bonds (distance) C4'-P energy: -27.054
bonds (distance) P-C4' energy: -27.946
flat angles C4'-P-C4' energy: -30.682
flat angles P-C4'-P energy: -23.498
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: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -297.414723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.414723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.414723 (E_RNA)
where:
Base-Base interactions energy: -165.479
where: short stacking energy: -79.835
Base-Backbone interact. energy: -0.439
local terms energy: -131.496368
where:
bonds (distance) C4'-P energy: -37.732
bonds (distance) P-C4' energy: -31.636
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -350.452494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.452494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.452494 (E_RNA)
where:
Base-Base interactions energy: -232.144
where: short stacking energy: -101.871
Base-Backbone interact. energy: 2.511
local terms energy: -120.819813
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -25.217
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -23.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -172.758753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.758753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.758753 (E_RNA)
where:
Base-Base interactions energy: -66.624
where: short stacking energy: -48.773
Base-Backbone interact. energy: -0.456
local terms energy: -105.678420
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -28.754
flat angles C4'-P-C4' energy: -29.714
flat angles P-C4'-P energy: -22.546
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -158.132981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.132981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.132981 (E_RNA)
where:
Base-Base interactions energy: -42.311
where: short stacking energy: -39.377
Base-Backbone interact. energy: -0.266
local terms energy: -115.556100
where:
bonds (distance) C4'-P energy: -35.894
bonds (distance) P-C4' energy: -29.685
flat angles C4'-P-C4' energy: -26.925
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -169.323546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.323546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.323546 (E_RNA)
where:
Base-Base interactions energy: -76.682
where: short stacking energy: -50.056
Base-Backbone interact. energy: -0.499
local terms energy: -92.143052
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -28.869
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -555.858163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.858163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.858163 (E_RNA)
where:
Base-Base interactions energy: -380.265
where: short stacking energy: -153.818
Base-Backbone interact. energy: -0.890
local terms energy: -174.702978
where:
bonds (distance) C4'-P energy: -34.617
bonds (distance) P-C4' energy: -32.793
flat angles C4'-P-C4' energy: -32.722
flat angles P-C4'-P energy: -28.754
tors. eta vs tors. theta energy: -45.817
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: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -531.165714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.165714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.165714 (E_RNA)
where:
Base-Base interactions energy: -350.876
where: short stacking energy: -162.165
Base-Backbone interact. energy: -0.289
local terms energy: -180.000469
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -35.983
flat angles C4'-P-C4' energy: -35.319
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -55.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -489.693972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.693972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.693972 (E_RNA)
where:
Base-Base interactions energy: -333.406
where: short stacking energy: -128.851
Base-Backbone interact. energy: -0.488
local terms energy: -155.799945
where:
bonds (distance) C4'-P energy: -31.499
bonds (distance) P-C4' energy: -34.290
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -41.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -474.932042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.932042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.932042 (E_RNA)
where:
Base-Base interactions energy: -319.638
where: short stacking energy: -121.630
Base-Backbone interact. energy: -1.013
local terms energy: -154.280658
where:
bonds (distance) C4'-P energy: -31.036
bonds (distance) P-C4' energy: -31.569
flat angles C4'-P-C4' energy: -28.513
flat angles P-C4'-P energy: -22.268
tors. eta vs tors. theta energy: -40.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -378.206220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.206220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.206220 (E_RNA)
where:
Base-Base interactions energy: -251.781
where: short stacking energy: -123.370
Base-Backbone interact. energy: 0.403
local terms energy: -126.828305
where:
bonds (distance) C4'-P energy: -33.246
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -30.573
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: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -355.397361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.397361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.397361 (E_RNA)
where:
Base-Base interactions energy: -197.634
where: short stacking energy: -91.370
Base-Backbone interact. energy: -0.156
local terms energy: -157.606848
where:
bonds (distance) C4'-P energy: -35.077
bonds (distance) P-C4' energy: -35.824
flat angles C4'-P-C4' energy: -39.213
flat angles P-C4'-P energy: -23.663
tors. eta vs tors. theta energy: -23.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -295.694331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.694331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.694331 (E_RNA)
where:
Base-Base interactions energy: -166.867
where: short stacking energy: -64.372
Base-Backbone interact. energy: -0.598
local terms energy: -128.229252
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -35.558
flat angles C4'-P-C4' energy: -33.441
flat angles P-C4'-P energy: -26.295
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -214.975163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.975163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.975163 (E_RNA)
where:
Base-Base interactions energy: -88.370
where: short stacking energy: -56.143
Base-Backbone interact. energy: 0.353
local terms energy: -126.958943
where:
bonds (distance) C4'-P energy: -34.832
bonds (distance) P-C4' energy: -28.653
flat angles C4'-P-C4' energy: -34.292
flat angles P-C4'-P energy: -26.978
tors. eta vs tors. theta energy: -2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -170.610840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.610840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.610840 (E_RNA)
where:
Base-Base interactions energy: -54.889
where: short stacking energy: -54.534
Base-Backbone interact. energy: 0.264
local terms energy: -115.985687
where:
bonds (distance) C4'-P energy: -32.420
bonds (distance) P-C4' energy: -33.783
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -5.083
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: 143
Temperature: 1.350000
Total energy: -157.843765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.843765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.843765 (E_RNA)
where:
Base-Base interactions energy: -66.778
where: short stacking energy: -40.178
Base-Backbone interact. energy: -0.423
local terms energy: -90.642279
where:
bonds (distance) C4'-P energy: -29.388
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -23.385
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: 7.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -548.083806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.083806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.083806 (E_RNA)
where:
Base-Base interactions energy: -355.516
where: short stacking energy: -162.462
Base-Backbone interact. energy: -0.138
local terms energy: -192.430137
where:
bonds (distance) C4'-P energy: -36.199
bonds (distance) P-C4' energy: -40.036
flat angles C4'-P-C4' energy: -36.069
flat angles P-C4'-P energy: -26.131
tors. eta vs tors. theta energy: -53.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -535.818194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.818194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.818194 (E_RNA)
where:
Base-Base interactions energy: -351.364
where: short stacking energy: -153.426
Base-Backbone interact. energy: -0.044
local terms energy: -184.409722
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -37.279
flat angles C4'-P-C4' energy: -40.904
flat angles P-C4'-P energy: -24.846
tors. eta vs tors. theta energy: -53.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -503.379407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.379407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.379407 (E_RNA)
where:
Base-Base interactions energy: -343.863
where: short stacking energy: -142.833
Base-Backbone interact. energy: -0.534
local terms energy: -158.982534
where:
bonds (distance) C4'-P energy: -28.667
bonds (distance) P-C4' energy: -33.960
flat angles C4'-P-C4' energy: -35.915
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -37.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -476.839919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.839919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.839919 (E_RNA)
where:
Base-Base interactions energy: -340.957
where: short stacking energy: -130.762
Base-Backbone interact. energy: -0.809
local terms energy: -135.073889
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -28.864
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -32.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -406.379777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.379777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.379777 (E_RNA)
where:
Base-Base interactions energy: -250.354
where: short stacking energy: -121.178
Base-Backbone interact. energy: -0.318
local terms energy: -155.707591
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -35.687
flat angles C4'-P-C4' energy: -36.148
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -32.964
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: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -374.240232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.240232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.240232 (E_RNA)
where:
Base-Base interactions energy: -228.738
where: short stacking energy: -110.122
Base-Backbone interact. energy: -0.329
local terms energy: -145.172528
where:
bonds (distance) C4'-P energy: -29.022
bonds (distance) P-C4' energy: -30.675
flat angles C4'-P-C4' energy: -33.651
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -35.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -289.237291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.237291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.237291 (E_RNA)
where:
Base-Base interactions energy: -161.060
where: short stacking energy: -78.022
Base-Backbone interact. energy: 2.167
local terms energy: -130.344699
where:
bonds (distance) C4'-P energy: -27.661
bonds (distance) P-C4' energy: -37.281
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -20.387
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: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -192.201489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.201489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.201489 (E_RNA)
where:
Base-Base interactions energy: -78.558
where: short stacking energy: -51.141
Base-Backbone interact. energy: -1.174
local terms energy: -112.469668
where:
bonds (distance) C4'-P energy: -30.777
bonds (distance) P-C4' energy: -30.091
flat angles C4'-P-C4' energy: -23.938
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -8.793
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: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -155.325718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.325718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.325718 (E_RNA)
where:
Base-Base interactions energy: -62.152
where: short stacking energy: -49.560
Base-Backbone interact. energy: -0.273
local terms energy: -92.900714
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -26.957
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -154.284445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.284445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.284445 (E_RNA)
where:
Base-Base interactions energy: -64.545
where: short stacking energy: -33.475
Base-Backbone interact. energy: 0.484
local terms energy: -90.223930
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: 7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -559.281379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.281379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.281379 (E_RNA)
where:
Base-Base interactions energy: -372.762
where: short stacking energy: -155.517
Base-Backbone interact. energy: -0.031
local terms energy: -186.488550
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -39.384
flat angles C4'-P-C4' energy: -39.926
flat angles P-C4'-P energy: -23.641
tors. eta vs tors. theta energy: -50.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -541.075630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.075630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.075630 (E_RNA)
where:
Base-Base interactions energy: -344.229
where: short stacking energy: -169.280
Base-Backbone interact. energy: 0.853
local terms energy: -197.699347
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -36.819
flat angles C4'-P-C4' energy: -38.511
flat angles P-C4'-P energy: -27.836
tors. eta vs tors. theta energy: -58.549
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: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -469.613112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.613112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.613112 (E_RNA)
where:
Base-Base interactions energy: -323.713
where: short stacking energy: -117.326
Base-Backbone interact. energy: -1.069
local terms energy: -144.831115
where:
bonds (distance) C4'-P energy: -31.597
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -33.687
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -38.315
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: 145
Temperature: 1.050000
Total energy: -409.788897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.788897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.788897 (E_RNA)
where:
Base-Base interactions energy: -261.121
where: short stacking energy: -110.708
Base-Backbone interact. energy: 1.117
local terms energy: -149.784370
where:
bonds (distance) C4'-P energy: -32.986
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -32.447
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -31.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -431.383240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.383240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.383240 (E_RNA)
where:
Base-Base interactions energy: -277.186
where: short stacking energy: -103.599
Base-Backbone interact. energy: -1.147
local terms energy: -153.050368
where:
bonds (distance) C4'-P energy: -32.216
bonds (distance) P-C4' energy: -28.371
flat angles C4'-P-C4' energy: -41.267
flat angles P-C4'-P energy: -23.124
tors. eta vs tors. theta energy: -28.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -374.712249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.712249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.712249 (E_RNA)
where:
Base-Base interactions energy: -234.411
where: short stacking energy: -105.993
Base-Backbone interact. energy: -1.155
local terms energy: -139.146584
where:
bonds (distance) C4'-P energy: -24.100
bonds (distance) P-C4' energy: -32.229
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -23.941
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: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -252.216616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.216616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.216616 (E_RNA)
where:
Base-Base interactions energy: -122.062
where: short stacking energy: -51.201
Base-Backbone interact. energy: -0.577
local terms energy: -129.577846
where:
bonds (distance) C4'-P energy: -32.042
bonds (distance) P-C4' energy: -40.692
flat angles C4'-P-C4' energy: -28.527
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -7.342
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: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -182.951548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.951548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.951548 (E_RNA)
where:
Base-Base interactions energy: -58.693
where: short stacking energy: -55.061
Base-Backbone interact. energy: 0.551
local terms energy: -124.809352
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -33.715
flat angles C4'-P-C4' energy: -33.751
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -177.202057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.202057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.202057 (E_RNA)
where:
Base-Base interactions energy: -69.291
where: short stacking energy: -55.024
Base-Backbone interact. energy: -0.832
local terms energy: -107.079057
where:
bonds (distance) C4'-P energy: -31.698
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -26.868
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -148.038540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.038540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.038540 (E_RNA)
where:
Base-Base interactions energy: -38.623
where: short stacking energy: -37.634
Base-Backbone interact. energy: 0.194
local terms energy: -109.609829
where:
bonds (distance) C4'-P energy: -29.276
bonds (distance) P-C4' energy: -35.372
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -543.765545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.765545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.765545 (E_RNA)
where:
Base-Base interactions energy: -355.045
where: short stacking energy: -162.614
Base-Backbone interact. energy: -0.068
local terms energy: -188.651717
where:
bonds (distance) C4'-P energy: -35.858
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -41.095
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -51.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -563.462805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.462805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.462805 (E_RNA)
where:
Base-Base interactions energy: -370.745
where: short stacking energy: -152.368
Base-Backbone interact. energy: -0.632
local terms energy: -192.085363
where:
bonds (distance) C4'-P energy: -35.575
bonds (distance) P-C4' energy: -40.012
flat angles C4'-P-C4' energy: -37.756
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -53.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -467.534609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.534609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.534609 (E_RNA)
where:
Base-Base interactions energy: -311.006
where: short stacking energy: -114.193
Base-Backbone interact. energy: -0.866
local terms energy: -155.662887
where:
bonds (distance) C4'-P energy: -36.327
bonds (distance) P-C4' energy: -38.742
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -43.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -427.147507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.147507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.147507 (E_RNA)
where:
Base-Base interactions energy: -260.153
where: short stacking energy: -123.218
Base-Backbone interact. energy: -0.328
local terms energy: -166.666610
where:
bonds (distance) C4'-P energy: -33.362
bonds (distance) P-C4' energy: -32.078
flat angles C4'-P-C4' energy: -39.967
flat angles P-C4'-P energy: -24.900
tors. eta vs tors. theta energy: -36.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -429.210973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.210973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.210973 (E_RNA)
where:
Base-Base interactions energy: -302.122
where: short stacking energy: -117.754
Base-Backbone interact. energy: -1.174
local terms energy: -125.914807
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -35.931
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -24.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -354.889430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.889430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.889430 (E_RNA)
where:
Base-Base interactions energy: -223.795
where: short stacking energy: -92.660
Base-Backbone interact. energy: -1.595
local terms energy: -129.498813
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -33.077
flat angles C4'-P-C4' energy: -28.773
flat angles P-C4'-P energy: -23.037
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -232.957930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.957930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.957930 (E_RNA)
where:
Base-Base interactions energy: -113.922
where: short stacking energy: -52.441
Base-Backbone interact. energy: -1.222
local terms energy: -117.813209
where:
bonds (distance) C4'-P energy: -31.507
bonds (distance) P-C4' energy: -33.219
flat angles C4'-P-C4' energy: -31.018
flat angles P-C4'-P energy: -19.519
tors. eta vs tors. theta energy: -2.550
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: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -156.509347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.509347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.509347 (E_RNA)
where:
Base-Base interactions energy: -52.534
where: short stacking energy: -46.342
Base-Backbone interact. energy: -0.590
local terms energy: -103.385177
where:
bonds (distance) C4'-P energy: -27.515
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -12.643
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: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -161.656966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.656966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.656966 (E_RNA)
where:
Base-Base interactions energy: -53.106
where: short stacking energy: -41.447
Base-Backbone interact. energy: 1.501
local terms energy: -110.051212
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -33.800
flat angles C4'-P-C4' energy: -22.758
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -141.210414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.210414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.210414 (E_RNA)
where:
Base-Base interactions energy: -48.908
where: short stacking energy: -31.467
Base-Backbone interact. energy: 0.293
local terms energy: -92.595276
where:
bonds (distance) C4'-P energy: -25.677
bonds (distance) P-C4' energy: -32.761
flat angles C4'-P-C4' energy: -25.966
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: 11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -532.823117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.823117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.823117 (E_RNA)
where:
Base-Base interactions energy: -341.403
where: short stacking energy: -161.659
Base-Backbone interact. energy: -1.075
local terms energy: -190.345635
where:
bonds (distance) C4'-P energy: -35.107
bonds (distance) P-C4' energy: -41.199
flat angles C4'-P-C4' energy: -35.720
flat angles P-C4'-P energy: -28.996
tors. eta vs tors. theta energy: -49.324
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: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -543.872650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.872650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.872650 (E_RNA)
where:
Base-Base interactions energy: -360.195
where: short stacking energy: -146.953
Base-Backbone interact. energy: -0.278
local terms energy: -183.399835
where:
bonds (distance) C4'-P energy: -31.557
bonds (distance) P-C4' energy: -34.496
flat angles C4'-P-C4' energy: -41.342
flat angles P-C4'-P energy: -28.884
tors. eta vs tors. theta energy: -47.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -493.158637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.158637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.158637 (E_RNA)
where:
Base-Base interactions energy: -324.465
where: short stacking energy: -119.765
Base-Backbone interact. energy: -1.432
local terms energy: -167.261216
where:
bonds (distance) C4'-P energy: -36.111
bonds (distance) P-C4' energy: -31.947
flat angles C4'-P-C4' energy: -42.294
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -34.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -426.498845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.498845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.498845 (E_RNA)
where:
Base-Base interactions energy: -270.734
where: short stacking energy: -120.187
Base-Backbone interact. energy: -1.319
local terms energy: -154.445997
where:
bonds (distance) C4'-P energy: -30.220
bonds (distance) P-C4' energy: -32.738
flat angles C4'-P-C4' energy: -35.204
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -29.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -432.589449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.589449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.589449 (E_RNA)
where:
Base-Base interactions energy: -298.189
where: short stacking energy: -116.579
Base-Backbone interact. energy: 0.287
local terms energy: -134.687689
where:
bonds (distance) C4'-P energy: -30.639
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -35.568
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -26.845
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: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -398.348473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.348473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.348473 (E_RNA)
where:
Base-Base interactions energy: -245.058
where: short stacking energy: -104.177
Base-Backbone interact. energy: -0.244
local terms energy: -153.046542
where:
bonds (distance) C4'-P energy: -28.592
bonds (distance) P-C4' energy: -35.283
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -23.489
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: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -238.751424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.751424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.751424 (E_RNA)
where:
Base-Base interactions energy: -131.406
where: short stacking energy: -82.609
Base-Backbone interact. energy: -0.305
local terms energy: -107.040798
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -27.585
flat angles C4'-P-C4' energy: -33.155
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -177.237916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.237916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.237916 (E_RNA)
where:
Base-Base interactions energy: -56.267
where: short stacking energy: -47.029
Base-Backbone interact. energy: -0.932
local terms energy: -120.038404
where:
bonds (distance) C4'-P energy: -31.694
bonds (distance) P-C4' energy: -31.561
flat angles C4'-P-C4' energy: -33.241
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -2.414
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: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -154.374123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.374123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.374123 (E_RNA)
where:
Base-Base interactions energy: -47.534
where: short stacking energy: -41.026
Base-Backbone interact. energy: -0.908
local terms energy: -105.932248
where:
bonds (distance) C4'-P energy: -29.648
bonds (distance) P-C4' energy: -31.465
flat angles C4'-P-C4' energy: -25.353
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: 0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -158.577870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.577870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.577870 (E_RNA)
where:
Base-Base interactions energy: -53.533
where: short stacking energy: -51.885
Base-Backbone interact. energy: 0.891
local terms energy: -105.936500
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -32.486
flat angles C4'-P-C4' energy: -29.693
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -556.497294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.497294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.497294 (E_RNA)
where:
Base-Base interactions energy: -383.151
where: short stacking energy: -156.332
Base-Backbone interact. energy: -0.442
local terms energy: -172.904430
where:
bonds (distance) C4'-P energy: -33.724
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -38.190
flat angles P-C4'-P energy: -30.307
tors. eta vs tors. theta energy: -47.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -508.124973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.124973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.124973 (E_RNA)
where:
Base-Base interactions energy: -328.486
where: short stacking energy: -155.585
Base-Backbone interact. energy: 1.871
local terms energy: -181.510877
where:
bonds (distance) C4'-P energy: -31.503
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -35.754
flat angles P-C4'-P energy: -28.192
tors. eta vs tors. theta energy: -50.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -497.307796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.307796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.307796 (E_RNA)
where:
Base-Base interactions energy: -331.633
where: short stacking energy: -110.790
Base-Backbone interact. energy: -0.715
local terms energy: -164.960344
where:
bonds (distance) C4'-P energy: -38.577
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -38.053
flat angles P-C4'-P energy: -25.042
tors. eta vs tors. theta energy: -30.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -432.320033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.320033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.320033 (E_RNA)
where:
Base-Base interactions energy: -276.320
where: short stacking energy: -125.500
Base-Backbone interact. energy: -1.262
local terms energy: -154.737441
where:
bonds (distance) C4'-P energy: -29.774
bonds (distance) P-C4' energy: -31.624
flat angles C4'-P-C4' energy: -29.379
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: -39.020
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: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -402.631167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.631167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.631167 (E_RNA)
where:
Base-Base interactions energy: -264.881
where: short stacking energy: -112.911
Base-Backbone interact. energy: -0.936
local terms energy: -136.814033
where:
bonds (distance) C4'-P energy: -25.934
bonds (distance) P-C4' energy: -27.441
flat angles C4'-P-C4' energy: -37.601
flat angles P-C4'-P energy: -19.123
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: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -389.647728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.647728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.647728 (E_RNA)
where:
Base-Base interactions energy: -261.279
where: short stacking energy: -91.771
Base-Backbone interact. energy: -3.059
local terms energy: -125.310046
where:
bonds (distance) C4'-P energy: -33.298
bonds (distance) P-C4' energy: -25.732
flat angles C4'-P-C4' energy: -25.784
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -256.271484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.271484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.271484 (E_RNA)
where:
Base-Base interactions energy: -136.436
where: short stacking energy: -67.187
Base-Backbone interact. energy: 0.191
local terms energy: -120.026416
where:
bonds (distance) C4'-P energy: -29.473
bonds (distance) P-C4' energy: -31.573
flat angles C4'-P-C4' energy: -37.895
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -185.336825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.336825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.336825 (E_RNA)
where:
Base-Base interactions energy: -64.878
where: short stacking energy: -44.118
Base-Backbone interact. energy: 3.415
local terms energy: -123.873278
where:
bonds (distance) C4'-P energy: -28.796
bonds (distance) P-C4' energy: -40.959
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -158.636292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.636292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.636292 (E_RNA)
where:
Base-Base interactions energy: -63.267
where: short stacking energy: -42.290
Base-Backbone interact. energy: -0.962
local terms energy: -94.407265
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -15.248
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: 10, replica: 7
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -137.231178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.231178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.231178 (E_RNA)
where:
Base-Base interactions energy: -35.198
where: short stacking energy: -30.238
Base-Backbone interact. energy: -0.604
local terms energy: -101.429254
where:
bonds (distance) C4'-P energy: -30.542
bonds (distance) P-C4' energy: -34.875
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -11.171
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: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -553.832199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.832199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.832199 (E_RNA)
where:
Base-Base interactions energy: -374.608
where: short stacking energy: -153.020
Base-Backbone interact. energy: -0.135
local terms energy: -179.089535
where:
bonds (distance) C4'-P energy: -34.070
bonds (distance) P-C4' energy: -39.136
flat angles C4'-P-C4' energy: -40.762
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -42.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -506.770371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.770371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.770371 (E_RNA)
where:
Base-Base interactions energy: -354.309
where: short stacking energy: -121.249
Base-Backbone interact. energy: -1.102
local terms energy: -151.358638
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -32.073
flat angles P-C4'-P energy: -23.471
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: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -500.014917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.014917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.014917 (E_RNA)
where:
Base-Base interactions energy: -330.406
where: short stacking energy: -158.624
Base-Backbone interact. energy: 0.066
local terms energy: -169.675128
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -33.291
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -52.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -401.236900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.236900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.236900 (E_RNA)
where:
Base-Base interactions energy: -259.271
where: short stacking energy: -115.140
Base-Backbone interact. energy: -0.159
local terms energy: -141.806823
where:
bonds (distance) C4'-P energy: -31.831
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -33.039
flat angles P-C4'-P energy: -20.069
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: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -418.272254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.272254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.272254 (E_RNA)
where:
Base-Base interactions energy: -263.415
where: short stacking energy: -125.980
Base-Backbone interact. energy: -0.461
local terms energy: -154.395871
where:
bonds (distance) C4'-P energy: -31.506
bonds (distance) P-C4' energy: -32.152
flat angles C4'-P-C4' energy: -33.905
flat angles P-C4'-P energy: -24.341
tors. eta vs tors. theta energy: -32.491
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: 149
Temperature: 1.150000
Total energy: -401.262671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.262671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.262671 (E_RNA)
where:
Base-Base interactions energy: -262.890
where: short stacking energy: -107.027
Base-Backbone interact. energy: -1.233
local terms energy: -137.139582
where:
bonds (distance) C4'-P energy: -31.747
bonds (distance) P-C4' energy: -30.264
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -28.212
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: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -205.349802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.349802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.349802 (E_RNA)
where:
Base-Base interactions energy: -86.893
where: short stacking energy: -64.786
Base-Backbone interact. energy: 0.824
local terms energy: -119.281360
where:
bonds (distance) C4'-P energy: -31.135
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -29.764
flat angles P-C4'-P energy: -19.548
tors. eta vs tors. theta energy: -7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -169.514599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.514599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.514599 (E_RNA)
where:
Base-Base interactions energy: -55.607
where: short stacking energy: -44.510
Base-Backbone interact. energy: 0.848
local terms energy: -114.755573
where:
bonds (distance) C4'-P energy: -30.582
bonds (distance) P-C4' energy: -36.738
flat angles C4'-P-C4' energy: -31.200
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: 2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -167.091484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.091484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.091484 (E_RNA)
where:
Base-Base interactions energy: -66.692
where: short stacking energy: -48.354
Base-Backbone interact. energy: -0.475
local terms energy: -99.924407
where:
bonds (distance) C4'-P energy: -28.443
bonds (distance) P-C4' energy: -33.363
flat angles C4'-P-C4' energy: -28.700
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: 5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -164.562825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.562825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.562825 (E_RNA)
where:
Base-Base interactions energy: -84.862
where: short stacking energy: -54.662
Base-Backbone interact. energy: -1.526
local terms energy: -78.175287
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -0.533
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: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -561.457035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.457035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.457035 (E_RNA)
where:
Base-Base interactions energy: -381.026
where: short stacking energy: -152.246
Base-Backbone interact. energy: 0.145
local terms energy: -180.575571
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -36.614
flat angles C4'-P-C4' energy: -37.697
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -50.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -503.349965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.349965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.349965 (E_RNA)
where:
Base-Base interactions energy: -324.681
where: short stacking energy: -121.408
Base-Backbone interact. energy: -2.306
local terms energy: -176.363580
where:
bonds (distance) C4'-P energy: -39.153
bonds (distance) P-C4' energy: -36.840
flat angles C4'-P-C4' energy: -38.403
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -39.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -490.302893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.302893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.302893 (E_RNA)
where:
Base-Base interactions energy: -310.749
where: short stacking energy: -148.981
Base-Backbone interact. energy: 1.231
local terms energy: -180.784790
where:
bonds (distance) C4'-P energy: -30.646
bonds (distance) P-C4' energy: -36.550
flat angles C4'-P-C4' energy: -40.179
flat angles P-C4'-P energy: -21.006
tors. eta vs tors. theta energy: -52.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -403.721318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.721318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.721318 (E_RNA)
where:
Base-Base interactions energy: -249.695
where: short stacking energy: -110.009
Base-Backbone interact. energy: -0.153
local terms energy: -153.872914
where:
bonds (distance) C4'-P energy: -37.221
bonds (distance) P-C4' energy: -30.310
flat angles C4'-P-C4' energy: -34.183
flat angles P-C4'-P energy: -22.045
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: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -368.025129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.025129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.025129 (E_RNA)
where:
Base-Base interactions energy: -227.846
where: short stacking energy: -102.122
Base-Backbone interact. energy: -0.672
local terms energy: -139.507081
where:
bonds (distance) C4'-P energy: -32.223
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -35.804
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -363.559344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.559344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.559344 (E_RNA)
where:
Base-Base interactions energy: -227.159
where: short stacking energy: -87.635
Base-Backbone interact. energy: 1.089
local terms energy: -137.489922
where:
bonds (distance) C4'-P energy: -30.662
bonds (distance) P-C4' energy: -35.796
flat angles C4'-P-C4' energy: -33.784
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -179.087033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.087033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.087033 (E_RNA)
where:
Base-Base interactions energy: -74.923
where: short stacking energy: -54.413
Base-Backbone interact. energy: -0.302
local terms energy: -103.862074
where:
bonds (distance) C4'-P energy: -39.389
bonds (distance) P-C4' energy: -26.553
flat angles C4'-P-C4' energy: -24.906
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: 0.687
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: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -171.479203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.479203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.479203 (E_RNA)
where:
Base-Base interactions energy: -83.896
where: short stacking energy: -59.004
Base-Backbone interact. energy: -0.429
local terms energy: -87.154694
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -32.078
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -14.892
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: 9, replica: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -160.393792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.393792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.393792 (E_RNA)
where:
Base-Base interactions energy: -62.732
where: short stacking energy: -47.239
Base-Backbone interact. energy: 3.398
local terms energy: -101.059439
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -30.093
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -15.177
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: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -158.618283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.618283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.618283 (E_RNA)
where:
Base-Base interactions energy: -52.175
where: short stacking energy: -45.843
Base-Backbone interact. energy: 0.607
local terms energy: -107.050436
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -36.232
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: 1.693
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: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -565.141443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.141443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.141443 (E_RNA)
where:
Base-Base interactions energy: -380.484
where: short stacking energy: -162.036
Base-Backbone interact. energy: -0.313
local terms energy: -184.344113
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -38.369
flat angles C4'-P-C4' energy: -39.053
flat angles P-C4'-P energy: -29.172
tors. eta vs tors. theta energy: -50.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -511.738552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.738552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.738552 (E_RNA)
where:
Base-Base interactions energy: -331.495
where: short stacking energy: -155.718
Base-Backbone interact. energy: -0.241
local terms energy: -180.003042
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -27.874
flat angles C4'-P-C4' energy: -35.328
flat angles P-C4'-P energy: -27.725
tors. eta vs tors. theta energy: -56.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -475.811340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.811340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.811340 (E_RNA)
where:
Base-Base interactions energy: -315.548
where: short stacking energy: -120.306
Base-Backbone interact. energy: -1.572
local terms energy: -158.691353
where:
bonds (distance) C4'-P energy: -36.822
bonds (distance) P-C4' energy: -34.901
flat angles C4'-P-C4' energy: -34.693
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: -32.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -429.338980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.338980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.338980 (E_RNA)
where:
Base-Base interactions energy: -265.634
where: short stacking energy: -134.333
Base-Backbone interact. energy: 1.073
local terms energy: -164.778502
where:
bonds (distance) C4'-P energy: -31.958
bonds (distance) P-C4' energy: -34.872
flat angles C4'-P-C4' energy: -37.967
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -40.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -354.103466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.103466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.103466 (E_RNA)
where:
Base-Base interactions energy: -209.940
where: short stacking energy: -99.838
Base-Backbone interact. energy: -0.400
local terms energy: -143.762943
where:
bonds (distance) C4'-P energy: -34.484
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -27.107
flat angles P-C4'-P energy: -27.170
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -331.247459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.247459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.247459 (E_RNA)
where:
Base-Base interactions energy: -185.591
where: short stacking energy: -92.864
Base-Backbone interact. energy: -0.076
local terms energy: -145.581085
where:
bonds (distance) C4'-P energy: -34.390
bonds (distance) P-C4' energy: -35.806
flat angles C4'-P-C4' energy: -29.176
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -26.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -195.895574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.895574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.895574 (E_RNA)
where:
Base-Base interactions energy: -90.368
where: short stacking energy: -66.901
Base-Backbone interact. energy: -0.257
local terms energy: -105.270385
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -26.647
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -167.456342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.456342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.456342 (E_RNA)
where:
Base-Base interactions energy: -64.027
where: short stacking energy: -48.961
Base-Backbone interact. energy: 2.362
local terms energy: -105.791265
where:
bonds (distance) C4'-P energy: -30.695
bonds (distance) P-C4' energy: -33.550
flat angles C4'-P-C4' energy: -27.222
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -161.751749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.751749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.751749 (E_RNA)
where:
Base-Base interactions energy: -54.008
where: short stacking energy: -48.965
Base-Backbone interact. energy: -0.449
local terms energy: -107.294969
where:
bonds (distance) C4'-P energy: -28.763
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -26.351
tors. eta vs tors. theta energy: -9.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -149.813121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.813121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.813121 (E_RNA)
where:
Base-Base interactions energy: -60.639
where: short stacking energy: -46.676
Base-Backbone interact. energy: 1.366
local terms energy: -90.540193
where:
bonds (distance) C4'-P energy: -22.536
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -561.288497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.288497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.288497 (E_RNA)
where:
Base-Base interactions energy: -380.295
where: short stacking energy: -155.412
Base-Backbone interact. energy: -0.178
local terms energy: -180.814694
where:
bonds (distance) C4'-P energy: -38.181
bonds (distance) P-C4' energy: -32.829
flat angles C4'-P-C4' energy: -35.263
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: -50.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -516.267856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.267856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.267856 (E_RNA)
where:
Base-Base interactions energy: -337.630
where: short stacking energy: -152.772
Base-Backbone interact. energy: -0.106
local terms energy: -178.531812
where:
bonds (distance) C4'-P energy: -33.278
bonds (distance) P-C4' energy: -29.525
flat angles C4'-P-C4' energy: -40.246
flat angles P-C4'-P energy: -24.010
tors. eta vs tors. theta energy: -51.472
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: 152
Temperature: 1.000000
Total energy: -472.771695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.771695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.771695 (E_RNA)
where:
Base-Base interactions energy: -298.171
where: short stacking energy: -135.628
Base-Backbone interact. energy: -0.234
local terms energy: -174.366137
where:
bonds (distance) C4'-P energy: -36.902
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -36.298
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -45.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -462.572448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.572448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.572448 (E_RNA)
where:
Base-Base interactions energy: -320.579
where: short stacking energy: -115.693
Base-Backbone interact. energy: -2.325
local terms energy: -139.668598
where:
bonds (distance) C4'-P energy: -21.255
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -28.113
flat angles P-C4'-P energy: -28.720
tors. eta vs tors. theta energy: -36.192
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: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -388.103662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.103662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.103662 (E_RNA)
where:
Base-Base interactions energy: -237.242
where: short stacking energy: -102.819
Base-Backbone interact. energy: 0.300
local terms energy: -151.160901
where:
bonds (distance) C4'-P energy: -32.244
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -33.804
flat angles P-C4'-P energy: -25.782
tors. eta vs tors. theta energy: -33.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -287.588023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.588023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.588023 (E_RNA)
where:
Base-Base interactions energy: -164.241
where: short stacking energy: -76.830
Base-Backbone interact. energy: 1.045
local terms energy: -124.392680
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -27.950
flat angles P-C4'-P energy: -22.290
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -194.183469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.183469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.183469 (E_RNA)
where:
Base-Base interactions energy: -71.697
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.843
local terms energy: -121.642925
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -33.633
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -10.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -176.047825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.047825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.047825 (E_RNA)
where:
Base-Base interactions energy: -54.133
where: short stacking energy: -42.060
Base-Backbone interact. energy: -0.466
local terms energy: -121.449085
where:
bonds (distance) C4'-P energy: -35.195
bonds (distance) P-C4' energy: -35.870
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -5.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -147.820264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.820264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.820264 (E_RNA)
where:
Base-Base interactions energy: -62.007
where: short stacking energy: -47.597
Base-Backbone interact. energy: -1.022
local terms energy: -84.791559
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -24.474
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: 4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -141.504820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.504820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.504820 (E_RNA)
where:
Base-Base interactions energy: -50.824
where: short stacking energy: -32.259
Base-Backbone interact. energy: -0.082
local terms energy: -90.599092
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -33.690
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -10.651
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: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -575.197521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.197521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.197521 (E_RNA)
where:
Base-Base interactions energy: -386.900
where: short stacking energy: -157.359
Base-Backbone interact. energy: -0.649
local terms energy: -187.649276
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -37.321
flat angles C4'-P-C4' energy: -41.284
flat angles P-C4'-P energy: -27.989
tors. eta vs tors. theta energy: -47.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -479.410769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.410769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.410769 (E_RNA)
where:
Base-Base interactions energy: -307.033
where: short stacking energy: -135.854
Base-Backbone interact. energy: -0.218
local terms energy: -172.158972
where:
bonds (distance) C4'-P energy: -34.174
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -41.056
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -47.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -522.323636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.323636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.323636 (E_RNA)
where:
Base-Base interactions energy: -334.004
where: short stacking energy: -172.472
Base-Backbone interact. energy: -0.013
local terms energy: -188.307295
where:
bonds (distance) C4'-P energy: -33.382
bonds (distance) P-C4' energy: -37.434
flat angles C4'-P-C4' energy: -40.691
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: -57.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -467.163877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.163877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.163877 (E_RNA)
where:
Base-Base interactions energy: -315.464
where: short stacking energy: -112.851
Base-Backbone interact. energy: 0.106
local terms energy: -151.805529
where:
bonds (distance) C4'-P energy: -27.013
bonds (distance) P-C4' energy: -33.773
flat angles C4'-P-C4' energy: -35.217
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -32.592
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: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -424.533807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.533807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.533807 (E_RNA)
where:
Base-Base interactions energy: -272.813
where: short stacking energy: -121.692
Base-Backbone interact. energy: -0.240
local terms energy: -151.480375
where:
bonds (distance) C4'-P energy: -31.751
bonds (distance) P-C4' energy: -35.497
flat angles C4'-P-C4' energy: -33.679
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -34.885
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: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -291.555680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.555680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.555680 (E_RNA)
where:
Base-Base interactions energy: -175.355
where: short stacking energy: -71.014
Base-Backbone interact. energy: -0.173
local terms energy: -116.027417
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -32.652
flat angles C4'-P-C4' energy: -25.054
flat angles P-C4'-P energy: -24.950
tors. eta vs tors. theta energy: -11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -192.722292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.722292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.722292 (E_RNA)
where:
Base-Base interactions energy: -87.196
where: short stacking energy: -65.096
Base-Backbone interact. energy: 0.405
local terms energy: -105.931895
where:
bonds (distance) C4'-P energy: -36.185
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -22.927
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: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -173.839297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.839297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.839297 (E_RNA)
where:
Base-Base interactions energy: -76.913
where: short stacking energy: -60.686
Base-Backbone interact. energy: -0.774
local terms energy: -96.152897
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -32.280
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -159.432706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.432706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.432706 (E_RNA)
where:
Base-Base interactions energy: -59.536
where: short stacking energy: -49.835
Base-Backbone interact. energy: -0.119
local terms energy: -99.776983
where:
bonds (distance) C4'-P energy: -28.668
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -25.214
tors. eta vs tors. theta energy: -1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -168.743613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.743613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.743613 (E_RNA)
where:
Base-Base interactions energy: -58.454
where: short stacking energy: -39.001
Base-Backbone interact. energy: 0.759
local terms energy: -111.048792
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -30.823
flat angles C4'-P-C4' energy: -33.135
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -556.862118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.862118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.862118 (E_RNA)
where:
Base-Base interactions energy: -367.167
where: short stacking energy: -149.231
Base-Backbone interact. energy: -0.012
local terms energy: -189.683498
where:
bonds (distance) C4'-P energy: -37.159
bonds (distance) P-C4' energy: -36.437
flat angles C4'-P-C4' energy: -37.690
flat angles P-C4'-P energy: -26.846
tors. eta vs tors. theta energy: -51.551
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: 154
Temperature: 0.950000
Total energy: -467.456716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.456716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.456716 (E_RNA)
where:
Base-Base interactions energy: -300.825
where: short stacking energy: -135.041
Base-Backbone interact. energy: -0.257
local terms energy: -166.375203
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -36.306
flat angles C4'-P-C4' energy: -35.178
flat angles P-C4'-P energy: -23.588
tors. eta vs tors. theta energy: -41.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -515.539246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.539246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.539246 (E_RNA)
where:
Base-Base interactions energy: -328.404
where: short stacking energy: -145.608
Base-Backbone interact. energy: 0.660
local terms energy: -187.795687
where:
bonds (distance) C4'-P energy: -33.182
bonds (distance) P-C4' energy: -39.293
flat angles C4'-P-C4' energy: -39.511
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -52.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -497.007021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.007021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.007021 (E_RNA)
where:
Base-Base interactions energy: -336.668
where: short stacking energy: -132.410
Base-Backbone interact. energy: 0.297
local terms energy: -160.636733
where:
bonds (distance) C4'-P energy: -33.598
bonds (distance) P-C4' energy: -34.338
flat angles C4'-P-C4' energy: -34.293
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -46.793
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: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -443.684407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.684407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.684407 (E_RNA)
where:
Base-Base interactions energy: -270.169
where: short stacking energy: -126.153
Base-Backbone interact. energy: -0.481
local terms energy: -173.033939
where:
bonds (distance) C4'-P energy: -33.210
bonds (distance) P-C4' energy: -37.336
flat angles C4'-P-C4' energy: -33.404
flat angles P-C4'-P energy: -25.378
tors. eta vs tors. theta energy: -43.706
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: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -310.643466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.643466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.643466 (E_RNA)
where:
Base-Base interactions energy: -193.788
where: short stacking energy: -99.244
Base-Backbone interact. energy: -0.369
local terms energy: -116.486908
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -29.043
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -17.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -184.452626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.452626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.452626 (E_RNA)
where:
Base-Base interactions energy: -77.956
where: short stacking energy: -65.042
Base-Backbone interact. energy: -0.544
local terms energy: -105.952969
where:
bonds (distance) C4'-P energy: -35.813
bonds (distance) P-C4' energy: -34.625
flat angles C4'-P-C4' energy: -26.165
flat angles P-C4'-P energy: -3.930
tors. eta vs tors. theta energy: -5.420
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: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -157.563231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.563231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.563231 (E_RNA)
where:
Base-Base interactions energy: -45.133
where: short stacking energy: -35.622
Base-Backbone interact. energy: -1.968
local terms energy: -110.461911
where:
bonds (distance) C4'-P energy: -31.241
bonds (distance) P-C4' energy: -36.291
flat angles C4'-P-C4' energy: -26.713
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -159.238323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.238323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.238323 (E_RNA)
where:
Base-Base interactions energy: -49.939
where: short stacking energy: -44.694
Base-Backbone interact. energy: -0.450
local terms energy: -108.849572
where:
bonds (distance) C4'-P energy: -30.174
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -35.034
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: 2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -143.284765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.284765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.284765 (E_RNA)
where:
Base-Base interactions energy: -69.270
where: short stacking energy: -49.928
Base-Backbone interact. energy: -1.332
local terms energy: -72.683000
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -13.515
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: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -563.742529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.742529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.742529 (E_RNA)
where:
Base-Base interactions energy: -377.763
where: short stacking energy: -160.197
Base-Backbone interact. energy: -0.019
local terms energy: -185.960298
where:
bonds (distance) C4'-P energy: -34.947
bonds (distance) P-C4' energy: -37.579
flat angles C4'-P-C4' energy: -32.259
flat angles P-C4'-P energy: -24.840
tors. eta vs tors. theta energy: -56.335
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: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -513.251551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.251551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.251551 (E_RNA)
where:
Base-Base interactions energy: -331.652
where: short stacking energy: -161.792
Base-Backbone interact. energy: -0.711
local terms energy: -180.888387
where:
bonds (distance) C4'-P energy: -36.872
bonds (distance) P-C4' energy: -36.230
flat angles C4'-P-C4' energy: -42.179
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -47.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -453.922535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.922535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.922535 (E_RNA)
where:
Base-Base interactions energy: -292.678
where: short stacking energy: -136.203
Base-Backbone interact. energy: -0.180
local terms energy: -161.064708
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -37.485
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -43.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -509.289352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.289352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.289352 (E_RNA)
where:
Base-Base interactions energy: -338.873
where: short stacking energy: -145.466
Base-Backbone interact. energy: 0.772
local terms energy: -171.188630
where:
bonds (distance) C4'-P energy: -31.818
bonds (distance) P-C4' energy: -26.565
flat angles C4'-P-C4' energy: -35.678
flat angles P-C4'-P energy: -29.900
tors. eta vs tors. theta energy: -47.228
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: 155
Temperature: 1.100000
Total energy: -400.828132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.828132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.828132 (E_RNA)
where:
Base-Base interactions energy: -266.906
where: short stacking energy: -117.325
Base-Backbone interact. energy: 1.019
local terms energy: -134.941703
where:
bonds (distance) C4'-P energy: -29.768
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -25.441
tors. eta vs tors. theta energy: -33.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -308.651811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.651811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.651811 (E_RNA)
where:
Base-Base interactions energy: -190.926
where: short stacking energy: -76.177
Base-Backbone interact. energy: -0.193
local terms energy: -117.532012
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -32.192
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -190.101533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.101533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.101533 (E_RNA)
where:
Base-Base interactions energy: -80.897
where: short stacking energy: -66.901
Base-Backbone interact. energy: -0.213
local terms energy: -108.992036
where:
bonds (distance) C4'-P energy: -25.013
bonds (distance) P-C4' energy: -28.791
flat angles C4'-P-C4' energy: -26.105
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -177.830118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.830118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.830118 (E_RNA)
where:
Base-Base interactions energy: -71.290
where: short stacking energy: -55.664
Base-Backbone interact. energy: 0.136
local terms energy: -106.676050
where:
bonds (distance) C4'-P energy: -27.143
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -2.882
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: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -159.403441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.403441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.403441 (E_RNA)
where:
Base-Base interactions energy: -55.807
where: short stacking energy: -42.117
Base-Backbone interact. energy: 1.537
local terms energy: -105.132994
where:
bonds (distance) C4'-P energy: -31.700
bonds (distance) P-C4' energy: -32.145
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -157.447697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.447697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.447697 (E_RNA)
where:
Base-Base interactions energy: -44.361
where: short stacking energy: -41.712
Base-Backbone interact. energy: -0.794
local terms energy: -112.292215
where:
bonds (distance) C4'-P energy: -24.872
bonds (distance) P-C4' energy: -32.543
flat angles C4'-P-C4' energy: -35.673
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -560.452953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.452953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.452953 (E_RNA)
where:
Base-Base interactions energy: -389.488
where: short stacking energy: -167.797
Base-Backbone interact. energy: -0.019
local terms energy: -170.945431
where:
bonds (distance) C4'-P energy: -26.697
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -32.607
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: -54.284
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: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -520.929965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.929965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.929965 (E_RNA)
where:
Base-Base interactions energy: -331.849
where: short stacking energy: -160.867
Base-Backbone interact. energy: -0.511
local terms energy: -188.569997
where:
bonds (distance) C4'-P energy: -35.502
bonds (distance) P-C4' energy: -35.479
flat angles C4'-P-C4' energy: -38.501
flat angles P-C4'-P energy: -29.543
tors. eta vs tors. theta energy: -49.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -476.961971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.961971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.961971 (E_RNA)
where:
Base-Base interactions energy: -330.720
where: short stacking energy: -125.640
Base-Backbone interact. energy: 1.963
local terms energy: -148.205200
where:
bonds (distance) C4'-P energy: -33.669
bonds (distance) P-C4' energy: -33.177
flat angles C4'-P-C4' energy: -27.136
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -39.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -435.396923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.396923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.396923 (E_RNA)
where:
Base-Base interactions energy: -276.043
where: short stacking energy: -116.906
Base-Backbone interact. energy: -0.091
local terms energy: -159.262930
where:
bonds (distance) C4'-P energy: -34.861
bonds (distance) P-C4' energy: -29.411
flat angles C4'-P-C4' energy: -35.740
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -37.762
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: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -406.216696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.216696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.216696 (E_RNA)
where:
Base-Base interactions energy: -254.048
where: short stacking energy: -117.634
Base-Backbone interact. energy: -0.683
local terms energy: -151.485575
where:
bonds (distance) C4'-P energy: -27.039
bonds (distance) P-C4' energy: -35.245
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -33.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -229.204968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.204968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.204968 (E_RNA)
where:
Base-Base interactions energy: -115.035
where: short stacking energy: -50.607
Base-Backbone interact. energy: -1.869
local terms energy: -112.300452
where:
bonds (distance) C4'-P energy: -30.934
bonds (distance) P-C4' energy: -30.320
flat angles C4'-P-C4' energy: -28.046
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -182.483083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.483083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.483083 (E_RNA)
where:
Base-Base interactions energy: -58.200
where: short stacking energy: -49.836
Base-Backbone interact. energy: -0.393
local terms energy: -123.890511
where:
bonds (distance) C4'-P energy: -35.668
bonds (distance) P-C4' energy: -36.075
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -24.195
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -158.820724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.820724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.820724 (E_RNA)
where:
Base-Base interactions energy: -46.983
where: short stacking energy: -41.533
Base-Backbone interact. energy: -0.649
local terms energy: -111.188462
where:
bonds (distance) C4'-P energy: -34.418
bonds (distance) P-C4' energy: -36.772
flat angles C4'-P-C4' energy: -27.999
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: 7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -158.359699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.359699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.359699 (E_RNA)
where:
Base-Base interactions energy: -67.320
where: short stacking energy: -46.399
Base-Backbone interact. energy: -0.711
local terms energy: -90.329058
where:
bonds (distance) C4'-P energy: -33.247
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -24.248
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: 5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -150.166536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.166536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.166536 (E_RNA)
where:
Base-Base interactions energy: -45.444
where: short stacking energy: -33.141
Base-Backbone interact. energy: -0.420
local terms energy: -104.302810
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -34.722
flat angles C4'-P-C4' energy: -24.316
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: 6.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -560.992608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.992608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.992608 (E_RNA)
where:
Base-Base interactions energy: -376.306
where: short stacking energy: -162.126
Base-Backbone interact. energy: -0.008
local terms energy: -184.678955
where:
bonds (distance) C4'-P energy: -36.694
bonds (distance) P-C4' energy: -34.302
flat angles C4'-P-C4' energy: -32.629
flat angles P-C4'-P energy: -28.720
tors. eta vs tors. theta energy: -52.334
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: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -524.815957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.815957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.815957 (E_RNA)
where:
Base-Base interactions energy: -341.411
where: short stacking energy: -169.551
Base-Backbone interact. energy: -0.110
local terms energy: -183.294824
where:
bonds (distance) C4'-P energy: -28.089
bonds (distance) P-C4' energy: -32.895
flat angles C4'-P-C4' energy: -38.428
flat angles P-C4'-P energy: -26.197
tors. eta vs tors. theta energy: -57.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -474.722336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.722336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.722336 (E_RNA)
where:
Base-Base interactions energy: -310.260
where: short stacking energy: -118.740
Base-Backbone interact. energy: -0.521
local terms energy: -163.941262
where:
bonds (distance) C4'-P energy: -35.222
bonds (distance) P-C4' energy: -32.906
flat angles C4'-P-C4' energy: -39.932
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -34.959
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: 157
Temperature: 1.050000
Total energy: -418.442379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.442379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.442379 (E_RNA)
where:
Base-Base interactions energy: -266.870
where: short stacking energy: -134.718
Base-Backbone interact. energy: -0.204
local terms energy: -151.368694
where:
bonds (distance) C4'-P energy: -35.117
bonds (distance) P-C4' energy: -24.584
flat angles C4'-P-C4' energy: -41.303
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -37.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -416.794251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.794251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.794251 (E_RNA)
where:
Base-Base interactions energy: -268.976
where: short stacking energy: -107.039
Base-Backbone interact. energy: -0.575
local terms energy: -147.243212
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -35.090
flat angles C4'-P-C4' energy: -34.911
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -29.289
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: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -234.811965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.811965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.811965 (E_RNA)
where:
Base-Base interactions energy: -106.505
where: short stacking energy: -67.838
Base-Backbone interact. energy: -1.064
local terms energy: -127.243354
where:
bonds (distance) C4'-P energy: -33.413
bonds (distance) P-C4' energy: -35.400
flat angles C4'-P-C4' energy: -32.996
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -190.784428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.784428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.784428 (E_RNA)
where:
Base-Base interactions energy: -77.309
where: short stacking energy: -51.241
Base-Backbone interact. energy: -0.188
local terms energy: -113.287691
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -33.139
flat angles C4'-P-C4' energy: -29.775
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -201.431713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.431713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.431713 (E_RNA)
where:
Base-Base interactions energy: -95.082
where: short stacking energy: -52.287
Base-Backbone interact. energy: -0.129
local terms energy: -106.220632
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -34.368
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -177.853451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.853451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.853451 (E_RNA)
where:
Base-Base interactions energy: -71.137
where: short stacking energy: -52.751
Base-Backbone interact. energy: 0.141
local terms energy: -106.857268
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -35.762
flat angles C4'-P-C4' energy: -30.561
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: 1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -160.686402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.686402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.686402 (E_RNA)
where:
Base-Base interactions energy: -73.708
where: short stacking energy: -52.377
Base-Backbone interact. energy: 7.058
local terms energy: -94.036491
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -30.837
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: 0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -572.029571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.029571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.029571 (E_RNA)
where:
Base-Base interactions energy: -386.593
where: short stacking energy: -168.445
Base-Backbone interact. energy: -0.205
local terms energy: -185.232088
where:
bonds (distance) C4'-P energy: -34.478
bonds (distance) P-C4' energy: -35.788
flat angles C4'-P-C4' energy: -40.298
flat angles P-C4'-P energy: -26.578
tors. eta vs tors. theta energy: -48.090
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: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -519.985232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.985232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.985232 (E_RNA)
where:
Base-Base interactions energy: -333.527
where: short stacking energy: -157.143
Base-Backbone interact. energy: -0.732
local terms energy: -185.726637
where:
bonds (distance) C4'-P energy: -30.332
bonds (distance) P-C4' energy: -38.278
flat angles C4'-P-C4' energy: -36.826
flat angles P-C4'-P energy: -27.095
tors. eta vs tors. theta energy: -53.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -499.730921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.730921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.730921 (E_RNA)
where:
Base-Base interactions energy: -332.820
where: short stacking energy: -130.456
Base-Backbone interact. energy: -0.932
local terms energy: -165.978647
where:
bonds (distance) C4'-P energy: -40.886
bonds (distance) P-C4' energy: -37.118
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -39.831
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: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -418.642415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.642415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.642415 (E_RNA)
where:
Base-Base interactions energy: -254.594
where: short stacking energy: -116.887
Base-Backbone interact. energy: -0.137
local terms energy: -163.911719
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -33.252
flat angles C4'-P-C4' energy: -39.585
flat angles P-C4'-P energy: -25.509
tors. eta vs tors. theta energy: -37.572
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: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -412.021869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.021869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.021869 (E_RNA)
where:
Base-Base interactions energy: -264.024
where: short stacking energy: -113.821
Base-Backbone interact. energy: -1.695
local terms energy: -146.302585
where:
bonds (distance) C4'-P energy: -28.623
bonds (distance) P-C4' energy: -27.188
flat angles C4'-P-C4' energy: -31.893
flat angles P-C4'-P energy: -25.853
tors. eta vs tors. theta energy: -32.745
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: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -207.961182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.961182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.961182 (E_RNA)
where:
Base-Base interactions energy: -90.639
where: short stacking energy: -40.172
Base-Backbone interact. energy: 3.225
local terms energy: -120.547689
where:
bonds (distance) C4'-P energy: -31.351
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -33.022
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -199.518189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.518189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.518189 (E_RNA)
where:
Base-Base interactions energy: -104.561
where: short stacking energy: -60.350
Base-Backbone interact. energy: 3.875
local terms energy: -98.832169
where:
bonds (distance) C4'-P energy: -25.618
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -29.396
flat angles P-C4'-P energy: -10.257
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: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -178.034854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.034854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.034854 (E_RNA)
where:
Base-Base interactions energy: -59.959
where: short stacking energy: -51.319
Base-Backbone interact. energy: -0.923
local terms energy: -117.153386
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -28.890
flat angles C4'-P-C4' energy: -29.931
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -157.811866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.811866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.811866 (E_RNA)
where:
Base-Base interactions energy: -54.291
where: short stacking energy: -34.489
Base-Backbone interact. energy: 2.209
local terms energy: -105.729941
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -28.712
flat angles P-C4'-P energy: -21.630
tors. eta vs tors. theta energy: 5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -169.780347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.780347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.780347 (E_RNA)
where:
Base-Base interactions energy: -76.919
where: short stacking energy: -46.065
Base-Backbone interact. energy: -0.741
local terms energy: -92.120301
where:
bonds (distance) C4'-P energy: -28.539
bonds (distance) P-C4' energy: -26.286
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -567.568994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.568994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.568994 (E_RNA)
where:
Base-Base interactions energy: -372.937
where: short stacking energy: -159.734
Base-Backbone interact. energy: 0.486
local terms energy: -195.117564
where:
bonds (distance) C4'-P energy: -34.228
bonds (distance) P-C4' energy: -41.164
flat angles C4'-P-C4' energy: -37.803
flat angles P-C4'-P energy: -29.585
tors. eta vs tors. theta energy: -52.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -521.912224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.912224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.912224 (E_RNA)
where:
Base-Base interactions energy: -338.063
where: short stacking energy: -162.429
Base-Backbone interact. energy: -0.044
local terms energy: -183.805459
where:
bonds (distance) C4'-P energy: -36.328
bonds (distance) P-C4' energy: -27.372
flat angles C4'-P-C4' energy: -42.328
flat angles P-C4'-P energy: -25.693
tors. eta vs tors. theta energy: -52.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -483.018901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.018901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.018901 (E_RNA)
where:
Base-Base interactions energy: -318.348
where: short stacking energy: -126.652
Base-Backbone interact. energy: -0.336
local terms energy: -164.335127
where:
bonds (distance) C4'-P energy: -32.695
bonds (distance) P-C4' energy: -39.486
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -39.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -447.072194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.072194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.072194 (E_RNA)
where:
Base-Base interactions energy: -289.898
where: short stacking energy: -137.177
Base-Backbone interact. energy: 0.022
local terms energy: -157.196667
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -34.594
flat angles C4'-P-C4' energy: -29.184
flat angles P-C4'-P energy: -23.506
tors. eta vs tors. theta energy: -35.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -422.018613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.018613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.018613 (E_RNA)
where:
Base-Base interactions energy: -263.989
where: short stacking energy: -109.974
Base-Backbone interact. energy: -0.745
local terms energy: -157.284655
where:
bonds (distance) C4'-P energy: -35.806
bonds (distance) P-C4' energy: -37.325
flat angles C4'-P-C4' energy: -33.679
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -35.225
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: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -230.176741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.176741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.176741 (E_RNA)
where:
Base-Base interactions energy: -113.045
where: short stacking energy: -63.261
Base-Backbone interact. energy: -2.217
local terms energy: -114.914759
where:
bonds (distance) C4'-P energy: -28.111
bonds (distance) P-C4' energy: -35.797
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -185.883167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.883167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.883167 (E_RNA)
where:
Base-Base interactions energy: -74.055
where: short stacking energy: -51.886
Base-Backbone interact. energy: 0.953
local terms energy: -112.780338
where:
bonds (distance) C4'-P energy: -38.503
bonds (distance) P-C4' energy: -37.200
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -4.297
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: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -165.432738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.432738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.432738 (E_RNA)
where:
Base-Base interactions energy: -49.784
where: short stacking energy: -41.482
Base-Backbone interact. energy: 1.521
local terms energy: -117.170223
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -28.557
flat angles P-C4'-P energy: -22.743
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -172.950987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.950987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.950987 (E_RNA)
where:
Base-Base interactions energy: -59.235
where: short stacking energy: -55.061
Base-Backbone interact. energy: 0.719
local terms energy: -114.434800
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -30.778
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -21.451
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -144.904991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.904991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.904991 (E_RNA)
where:
Base-Base interactions energy: -42.352
where: short stacking energy: -39.720
Base-Backbone interact. energy: -0.569
local terms energy: -101.984695
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -27.783
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -20.598
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: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -572.885053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.885053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.885053 (E_RNA)
where:
Base-Base interactions energy: -376.680
where: short stacking energy: -148.182
Base-Backbone interact. energy: -0.035
local terms energy: -196.170675
where:
bonds (distance) C4'-P energy: -39.538
bonds (distance) P-C4' energy: -38.535
flat angles C4'-P-C4' energy: -39.501
flat angles P-C4'-P energy: -29.506
tors. eta vs tors. theta energy: -49.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -508.949207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.949207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.949207 (E_RNA)
where:
Base-Base interactions energy: -312.797
where: short stacking energy: -152.247
Base-Backbone interact. energy: -1.113
local terms energy: -195.038398
where:
bonds (distance) C4'-P energy: -37.729
bonds (distance) P-C4' energy: -36.828
flat angles C4'-P-C4' energy: -39.364
flat angles P-C4'-P energy: -28.133
tors. eta vs tors. theta energy: -52.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -474.404224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.404224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.404224 (E_RNA)
where:
Base-Base interactions energy: -292.441
where: short stacking energy: -144.707
Base-Backbone interact. energy: -0.719
local terms energy: -181.243878
where:
bonds (distance) C4'-P energy: -37.123
bonds (distance) P-C4' energy: -34.125
flat angles C4'-P-C4' energy: -38.997
flat angles P-C4'-P energy: -25.813
tors. eta vs tors. theta energy: -45.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -450.804531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.804531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.804531 (E_RNA)
where:
Base-Base interactions energy: -296.582
where: short stacking energy: -112.067
Base-Backbone interact. energy: -0.271
local terms energy: -153.951876
where:
bonds (distance) C4'-P energy: -31.629
bonds (distance) P-C4' energy: -33.088
flat angles C4'-P-C4' energy: -37.394
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -32.339
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: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -419.125650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.125650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.125650 (E_RNA)
where:
Base-Base interactions energy: -275.772
where: short stacking energy: -117.074
Base-Backbone interact. energy: -0.391
local terms energy: -142.962115
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -31.653
flat angles C4'-P-C4' energy: -30.354
flat angles P-C4'-P energy: -22.335
tors. eta vs tors. theta energy: -37.505
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: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -234.150741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.150741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.150741 (E_RNA)
where:
Base-Base interactions energy: -109.836
where: short stacking energy: -58.095
Base-Backbone interact. energy: -0.022
local terms energy: -124.293608
where:
bonds (distance) C4'-P energy: -34.505
bonds (distance) P-C4' energy: -37.154
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -192.501940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.501940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.501940 (E_RNA)
where:
Base-Base interactions energy: -64.878
where: short stacking energy: -59.287
Base-Backbone interact. energy: 0.379
local terms energy: -128.002780
where:
bonds (distance) C4'-P energy: -26.605
bonds (distance) P-C4' energy: -34.423
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -158.316793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.316793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.316793 (E_RNA)
where:
Base-Base interactions energy: -63.033
where: short stacking energy: -38.799
Base-Backbone interact. energy: -1.245
local terms energy: -94.038404
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -34.387
flat angles C4'-P-C4' energy: -26.745
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: 6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -160.050240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.050240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.050240 (E_RNA)
where:
Base-Base interactions energy: -53.944
where: short stacking energy: -46.231
Base-Backbone interact. energy: 1.251
local terms energy: -107.357606
where:
bonds (distance) C4'-P energy: -30.994
bonds (distance) P-C4' energy: -30.543
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -151.591790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.591790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.591790 (E_RNA)
where:
Base-Base interactions energy: -41.780
where: short stacking energy: -34.051
Base-Backbone interact. energy: -0.620
local terms energy: -109.191865
where:
bonds (distance) C4'-P energy: -27.324
bonds (distance) P-C4' energy: -32.906
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: 3.638
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: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -560.837121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.837121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.837121 (E_RNA)
where:
Base-Base interactions energy: -376.143
where: short stacking energy: -159.797
Base-Backbone interact. energy: -0.345
local terms energy: -184.349515
where:
bonds (distance) C4'-P energy: -36.186
bonds (distance) P-C4' energy: -37.683
flat angles C4'-P-C4' energy: -38.978
flat angles P-C4'-P energy: -25.590
tors. eta vs tors. theta energy: -45.911
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: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -527.784360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.784360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.784360 (E_RNA)
where:
Base-Base interactions energy: -342.513
where: short stacking energy: -161.895
Base-Backbone interact. energy: -0.042
local terms energy: -185.228897
where:
bonds (distance) C4'-P energy: -32.115
bonds (distance) P-C4' energy: -34.951
flat angles C4'-P-C4' energy: -33.783
flat angles P-C4'-P energy: -27.358
tors. eta vs tors. theta energy: -57.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -456.166654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.166654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.166654 (E_RNA)
where:
Base-Base interactions energy: -283.673
where: short stacking energy: -130.392
Base-Backbone interact. energy: -0.212
local terms energy: -172.280926
where:
bonds (distance) C4'-P energy: -33.005
bonds (distance) P-C4' energy: -38.886
flat angles C4'-P-C4' energy: -32.423
flat angles P-C4'-P energy: -19.967
tors. eta vs tors. theta energy: -48.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -470.915475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.915475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.915475 (E_RNA)
where:
Base-Base interactions energy: -322.422
where: short stacking energy: -134.383
Base-Backbone interact. energy: 0.514
local terms energy: -149.008094
where:
bonds (distance) C4'-P energy: -28.430
bonds (distance) P-C4' energy: -31.611
flat angles C4'-P-C4' energy: -31.713
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -42.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -414.050237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.050237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.050237 (E_RNA)
where:
Base-Base interactions energy: -256.695
where: short stacking energy: -113.948
Base-Backbone interact. energy: -0.617
local terms energy: -156.737910
where:
bonds (distance) C4'-P energy: -26.918
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -36.905
flat angles P-C4'-P energy: -29.980
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: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -191.711474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.711474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.711474 (E_RNA)
where:
Base-Base interactions energy: -83.919
where: short stacking energy: -52.951
Base-Backbone interact. energy: -0.146
local terms energy: -107.647116
where:
bonds (distance) C4'-P energy: -41.169
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -27.256
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: 2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -203.991483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.991483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.991483 (E_RNA)
where:
Base-Base interactions energy: -94.800
where: short stacking energy: -50.889
Base-Backbone interact. energy: 0.050
local terms energy: -109.241017
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -36.307
flat angles C4'-P-C4' energy: -24.405
flat angles P-C4'-P energy: -20.056
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: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -164.987076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.987076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.987076 (E_RNA)
where:
Base-Base interactions energy: -60.952
where: short stacking energy: -40.086
Base-Backbone interact. energy: 0.076
local terms energy: -104.111022
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -31.545
flat angles C4'-P-C4' energy: -35.286
flat angles P-C4'-P energy: -15.347
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: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -166.958657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.958657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.958657 (E_RNA)
where:
Base-Base interactions energy: -64.557
where: short stacking energy: -43.998
Base-Backbone interact. energy: -0.759
local terms energy: -101.642875
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -33.503
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -162.883108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.883108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.883108 (E_RNA)
where:
Base-Base interactions energy: -58.822
where: short stacking energy: -42.246
Base-Backbone interact. energy: -1.117
local terms energy: -102.943918
where:
bonds (distance) C4'-P energy: -24.601
bonds (distance) P-C4' energy: -29.809
flat angles C4'-P-C4' energy: -34.227
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: 3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -564.851306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.851306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.851306 (E_RNA)
where:
Base-Base interactions energy: -378.005
where: short stacking energy: -152.351
Base-Backbone interact. energy: -0.607
local terms energy: -186.239272
where:
bonds (distance) C4'-P energy: -35.902
bonds (distance) P-C4' energy: -36.204
flat angles C4'-P-C4' energy: -39.517
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: -48.215
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: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -514.815761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.815761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.815761 (E_RNA)
where:
Base-Base interactions energy: -331.727
where: short stacking energy: -162.974
Base-Backbone interact. energy: -0.834
local terms energy: -182.254525
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -35.093
flat angles C4'-P-C4' energy: -38.079
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -54.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -453.676811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.676811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.676811 (E_RNA)
where:
Base-Base interactions energy: -277.626
where: short stacking energy: -137.732
Base-Backbone interact. energy: -0.055
local terms energy: -175.995716
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -34.818
flat angles C4'-P-C4' energy: -35.198
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -45.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -453.533668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.533668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.533668 (E_RNA)
where:
Base-Base interactions energy: -300.143
where: short stacking energy: -126.765
Base-Backbone interact. energy: -0.375
local terms energy: -153.015262
where:
bonds (distance) C4'-P energy: -28.708
bonds (distance) P-C4' energy: -30.620
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -22.591
tors. eta vs tors. theta energy: -37.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -424.026184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.026184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.026184 (E_RNA)
where:
Base-Base interactions energy: -258.939
where: short stacking energy: -116.455
Base-Backbone interact. energy: -1.484
local terms energy: -163.602286
where:
bonds (distance) C4'-P energy: -32.326
bonds (distance) P-C4' energy: -37.684
flat angles C4'-P-C4' energy: -34.424
flat angles P-C4'-P energy: -24.527
tors. eta vs tors. theta energy: -34.642
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: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -221.968164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.968164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.968164 (E_RNA)
where:
Base-Base interactions energy: -93.305
where: short stacking energy: -64.996
Base-Backbone interact. energy: 0.942
local terms energy: -129.605680
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -30.794
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -8.986
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: 162
Temperature: 1.200000
Total energy: -195.839694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.839694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.839694 (E_RNA)
where:
Base-Base interactions energy: -86.746
where: short stacking energy: -63.002
Base-Backbone interact. energy: -1.910
local terms energy: -107.183517
where:
bonds (distance) C4'-P energy: -31.301
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -163.123261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.123261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.123261 (E_RNA)
where:
Base-Base interactions energy: -66.005
where: short stacking energy: -49.520
Base-Backbone interact. energy: 0.180
local terms energy: -97.298362
where:
bonds (distance) C4'-P energy: -29.958
bonds (distance) P-C4' energy: -30.291
flat angles C4'-P-C4' energy: -23.731
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: 6.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -161.395161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.395161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.395161 (E_RNA)
where:
Base-Base interactions energy: -62.208
where: short stacking energy: -51.242
Base-Backbone interact. energy: -0.699
local terms energy: -98.488139
where:
bonds (distance) C4'-P energy: -30.427
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -24.323
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -156.619595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.619595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.619595 (E_RNA)
where:
Base-Base interactions energy: -68.234
where: short stacking energy: -44.575
Base-Backbone interact. energy: 3.060
local terms energy: -91.445051
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -35.216
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: 1.367
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: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -576.823335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.823335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.823335 (E_RNA)
where:
Base-Base interactions energy: -388.208
where: short stacking energy: -159.006
Base-Backbone interact. energy: -0.061
local terms energy: -188.554779
where:
bonds (distance) C4'-P energy: -32.142
bonds (distance) P-C4' energy: -37.252
flat angles C4'-P-C4' energy: -42.246
flat angles P-C4'-P energy: -26.024
tors. eta vs tors. theta energy: -50.890
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: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -501.595179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.595179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.595179 (E_RNA)
where:
Base-Base interactions energy: -306.837
where: short stacking energy: -152.677
Base-Backbone interact. energy: -0.304
local terms energy: -194.454094
where:
bonds (distance) C4'-P energy: -38.836
bonds (distance) P-C4' energy: -33.211
flat angles C4'-P-C4' energy: -35.587
flat angles P-C4'-P energy: -31.646
tors. eta vs tors. theta energy: -55.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -453.076285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.076285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.076285 (E_RNA)
where:
Base-Base interactions energy: -284.803
where: short stacking energy: -141.872
Base-Backbone interact. energy: -0.176
local terms energy: -168.097327
where:
bonds (distance) C4'-P energy: -25.444
bonds (distance) P-C4' energy: -37.308
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -26.534
tors. eta vs tors. theta energy: -41.315
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: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -459.020531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.020531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.020531 (E_RNA)
where:
Base-Base interactions energy: -305.922
where: short stacking energy: -119.938
Base-Backbone interact. energy: -0.503
local terms energy: -152.595281
where:
bonds (distance) C4'-P energy: -24.130
bonds (distance) P-C4' energy: -33.597
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -24.102
tors. eta vs tors. theta energy: -37.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -427.829234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.829234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.829234 (E_RNA)
where:
Base-Base interactions energy: -277.779
where: short stacking energy: -113.265
Base-Backbone interact. energy: -1.567
local terms energy: -148.482524
where:
bonds (distance) C4'-P energy: -33.026
bonds (distance) P-C4' energy: -32.178
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -35.243
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: 163
Temperature: 1.150000
Total energy: -214.597420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.597420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.597420 (E_RNA)
where:
Base-Base interactions energy: -97.447
where: short stacking energy: -67.776
Base-Backbone interact. energy: -0.422
local terms energy: -116.727618
where:
bonds (distance) C4'-P energy: -26.939
bonds (distance) P-C4' energy: -30.780
flat angles C4'-P-C4' energy: -29.934
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -13.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -182.657485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.657485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.657485 (E_RNA)
where:
Base-Base interactions energy: -66.537
where: short stacking energy: -54.963
Base-Backbone interact. energy: -0.292
local terms energy: -115.828743
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -32.669
flat angles C4'-P-C4' energy: -25.614
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -165.749346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.749346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.749346 (E_RNA)
where:
Base-Base interactions energy: -59.983
where: short stacking energy: -55.718
Base-Backbone interact. energy: 0.476
local terms energy: -106.241838
where:
bonds (distance) C4'-P energy: -30.855
bonds (distance) P-C4' energy: -31.027
flat angles C4'-P-C4' energy: -33.772
flat angles P-C4'-P energy: -3.914
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -156.555097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.555097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.555097 (E_RNA)
where:
Base-Base interactions energy: -50.196
where: short stacking energy: -42.385
Base-Backbone interact. energy: 2.340
local terms energy: -108.699421
where:
bonds (distance) C4'-P energy: -31.832
bonds (distance) P-C4' energy: -32.375
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -20.435
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: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -147.466952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.466952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.466952 (E_RNA)
where:
Base-Base interactions energy: -40.927
where: short stacking energy: -40.927
Base-Backbone interact. energy: -0.090
local terms energy: -106.449456
where:
bonds (distance) C4'-P energy: -28.297
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -3.601
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: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -551.354431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.354431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.354431 (E_RNA)
where:
Base-Base interactions energy: -368.939
where: short stacking energy: -147.423
Base-Backbone interact. energy: -0.294
local terms energy: -182.120613
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -35.008
flat angles C4'-P-C4' energy: -45.584
flat angles P-C4'-P energy: -24.980
tors. eta vs tors. theta energy: -40.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -520.184472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.184472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.184472 (E_RNA)
where:
Base-Base interactions energy: -332.854
where: short stacking energy: -148.503
Base-Backbone interact. energy: -0.024
local terms energy: -187.306429
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -40.154
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: -52.398
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: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -467.543208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.543208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.543208 (E_RNA)
where:
Base-Base interactions energy: -310.219
where: short stacking energy: -118.669
Base-Backbone interact. energy: -0.664
local terms energy: -156.661154
where:
bonds (distance) C4'-P energy: -34.658
bonds (distance) P-C4' energy: -33.652
flat angles C4'-P-C4' energy: -29.924
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -36.493
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: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -441.693032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.693032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.693032 (E_RNA)
where:
Base-Base interactions energy: -273.684
where: short stacking energy: -130.283
Base-Backbone interact. energy: 0.322
local terms energy: -168.330831
where:
bonds (distance) C4'-P energy: -33.850
bonds (distance) P-C4' energy: -31.684
flat angles C4'-P-C4' energy: -37.824
flat angles P-C4'-P energy: -23.325
tors. eta vs tors. theta energy: -41.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -407.089620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.089620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.089620 (E_RNA)
where:
Base-Base interactions energy: -246.118
where: short stacking energy: -99.155
Base-Backbone interact. energy: -0.377
local terms energy: -160.594713
where:
bonds (distance) C4'-P energy: -27.555
bonds (distance) P-C4' energy: -32.451
flat angles C4'-P-C4' energy: -36.132
flat angles P-C4'-P energy: -26.669
tors. eta vs tors. theta energy: -37.787
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: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -258.973188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.973188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.973188 (E_RNA)
where:
Base-Base interactions energy: -139.415
where: short stacking energy: -81.717
Base-Backbone interact. energy: -1.109
local terms energy: -118.448775
where:
bonds (distance) C4'-P energy: -31.801
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -10.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -177.948715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.948715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.948715 (E_RNA)
where:
Base-Base interactions energy: -55.257
where: short stacking energy: -50.511
Base-Backbone interact. energy: -1.127
local terms energy: -121.565013
where:
bonds (distance) C4'-P energy: -26.342
bonds (distance) P-C4' energy: -34.458
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -23.593
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: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -240.498340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.498340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.498340 (E_RNA)
where:
Base-Base interactions energy: -114.963
where: short stacking energy: -63.909
Base-Backbone interact. energy: -0.101
local terms energy: -125.433792
where:
bonds (distance) C4'-P energy: -32.518
bonds (distance) P-C4' energy: -27.126
flat angles C4'-P-C4' energy: -30.860
flat angles P-C4'-P energy: -24.578
tors. eta vs tors. theta energy: -10.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -179.042232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.042232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.042232 (E_RNA)
where:
Base-Base interactions energy: -71.408
where: short stacking energy: -44.635
Base-Backbone interact. energy: -0.361
local terms energy: -107.273007
where:
bonds (distance) C4'-P energy: -29.659
bonds (distance) P-C4' energy: -33.194
flat angles C4'-P-C4' energy: -28.049
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -142.617228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.617228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.617228 (E_RNA)
where:
Base-Base interactions energy: -50.249
where: short stacking energy: -42.922
Base-Backbone interact. energy: -0.565
local terms energy: -91.803283
where:
bonds (distance) C4'-P energy: -34.409
bonds (distance) P-C4' energy: -29.404
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -1.563
tors. eta vs tors. theta energy: 1.756
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: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -566.381538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.381538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.381538 (E_RNA)
where:
Base-Base interactions energy: -393.137
where: short stacking energy: -165.393
Base-Backbone interact. energy: -0.219
local terms energy: -173.025442
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -30.044
flat angles C4'-P-C4' energy: -35.719
flat angles P-C4'-P energy: -22.952
tors. eta vs tors. theta energy: -49.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -523.893763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.893763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.893763 (E_RNA)
where:
Base-Base interactions energy: -331.899
where: short stacking energy: -150.336
Base-Backbone interact. energy: -0.444
local terms energy: -191.549800
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -32.331
flat angles C4'-P-C4' energy: -40.037
flat angles P-C4'-P energy: -25.864
tors. eta vs tors. theta energy: -54.455
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: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -457.263545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.263545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.263545 (E_RNA)
where:
Base-Base interactions energy: -305.566
where: short stacking energy: -111.170
Base-Backbone interact. energy: -0.530
local terms energy: -151.167338
where:
bonds (distance) C4'-P energy: -30.955
bonds (distance) P-C4' energy: -27.498
flat angles C4'-P-C4' energy: -26.835
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -37.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -442.884976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.884976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.884976 (E_RNA)
where:
Base-Base interactions energy: -270.895
where: short stacking energy: -114.698
Base-Backbone interact. energy: -0.042
local terms energy: -171.948251
where:
bonds (distance) C4'-P energy: -37.919
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -26.608
tors. eta vs tors. theta energy: -36.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -418.844294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.844294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.844294 (E_RNA)
where:
Base-Base interactions energy: -261.761
where: short stacking energy: -123.644
Base-Backbone interact. energy: 0.143
local terms energy: -157.225935
where:
bonds (distance) C4'-P energy: -31.946
bonds (distance) P-C4' energy: -32.579
flat angles C4'-P-C4' energy: -34.311
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -41.819
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: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -213.208849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.208849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.208849 (E_RNA)
where:
Base-Base interactions energy: -87.914
where: short stacking energy: -60.100
Base-Backbone interact. energy: -0.914
local terms energy: -124.380641
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -41.898
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -214.318502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.318502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.318502 (E_RNA)
where:
Base-Base interactions energy: -86.439
where: short stacking energy: -52.888
Base-Backbone interact. energy: 0.056
local terms energy: -127.935397
where:
bonds (distance) C4'-P energy: -29.246
bonds (distance) P-C4' energy: -34.166
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -23.446
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -232.994306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.994306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.994306 (E_RNA)
where:
Base-Base interactions energy: -112.317
where: short stacking energy: -64.907
Base-Backbone interact. energy: -0.726
local terms energy: -119.950805
where:
bonds (distance) C4'-P energy: -26.349
bonds (distance) P-C4' energy: -34.272
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -172.267625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.267625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.267625 (E_RNA)
where:
Base-Base interactions energy: -66.469
where: short stacking energy: -41.781
Base-Backbone interact. energy: -0.159
local terms energy: -105.640007
where:
bonds (distance) C4'-P energy: -37.397
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -0.116
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: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -154.505327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.505327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.505327 (E_RNA)
where:
Base-Base interactions energy: -67.804
where: short stacking energy: -31.321
Base-Backbone interact. energy: 0.300
local terms energy: -87.001179
where:
bonds (distance) C4'-P energy: -33.637
bonds (distance) P-C4' energy: -32.633
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -5.996
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: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -567.425544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.425544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.425544 (E_RNA)
where:
Base-Base interactions energy: -386.608
where: short stacking energy: -163.118
Base-Backbone interact. energy: -0.190
local terms energy: -180.626590
where:
bonds (distance) C4'-P energy: -33.619
bonds (distance) P-C4' energy: -39.883
flat angles C4'-P-C4' energy: -35.073
flat angles P-C4'-P energy: -22.263
tors. eta vs tors. theta energy: -49.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -528.077023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.077023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.077023 (E_RNA)
where:
Base-Base interactions energy: -343.224
where: short stacking energy: -151.292
Base-Backbone interact. energy: -0.309
local terms energy: -184.544866
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -32.424
flat angles C4'-P-C4' energy: -41.693
flat angles P-C4'-P energy: -22.897
tors. eta vs tors. theta energy: -56.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -475.307371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.307371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.307371 (E_RNA)
where:
Base-Base interactions energy: -315.904
where: short stacking energy: -133.240
Base-Backbone interact. energy: -0.514
local terms energy: -158.888989
where:
bonds (distance) C4'-P energy: -31.939
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -33.804
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -43.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -458.614384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.614384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.614384 (E_RNA)
where:
Base-Base interactions energy: -306.557
where: short stacking energy: -134.320
Base-Backbone interact. energy: -0.272
local terms energy: -151.784606
where:
bonds (distance) C4'-P energy: -31.781
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -37.469
flat angles P-C4'-P energy: -22.180
tors. eta vs tors. theta energy: -44.775
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: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -416.927463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.927463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.927463 (E_RNA)
where:
Base-Base interactions energy: -251.507
where: short stacking energy: -105.306
Base-Backbone interact. energy: -0.567
local terms energy: -164.853204
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -36.292
flat angles C4'-P-C4' energy: -38.752
flat angles P-C4'-P energy: -23.291
tors. eta vs tors. theta energy: -36.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -238.916902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.916902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.916902 (E_RNA)
where:
Base-Base interactions energy: -111.865
where: short stacking energy: -62.498
Base-Backbone interact. energy: -0.669
local terms energy: -126.383180
where:
bonds (distance) C4'-P energy: -36.649
bonds (distance) P-C4' energy: -37.022
flat angles C4'-P-C4' energy: -38.627
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: 5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -188.406756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.406756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.406756 (E_RNA)
where:
Base-Base interactions energy: -73.044
where: short stacking energy: -63.891
Base-Backbone interact. energy: 1.920
local terms energy: -117.282996
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -27.555
flat angles C4'-P-C4' energy: -32.074
flat angles P-C4'-P energy: -23.132
tors. eta vs tors. theta energy: -6.752
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: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -179.356212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.356212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.356212 (E_RNA)
where:
Base-Base interactions energy: -85.137
where: short stacking energy: -51.420
Base-Backbone interact. energy: 1.608
local terms energy: -95.827459
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -28.032
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -3.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -169.812167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.812167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.812167 (E_RNA)
where:
Base-Base interactions energy: -67.040
where: short stacking energy: -50.584
Base-Backbone interact. energy: -0.288
local terms energy: -102.484144
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -26.261
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -151.075140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.075140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.075140 (E_RNA)
where:
Base-Base interactions energy: -55.884
where: short stacking energy: -36.825
Base-Backbone interact. energy: 1.840
local terms energy: -97.031537
where:
bonds (distance) C4'-P energy: -25.196
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -24.557
flat angles P-C4'-P energy: -26.915
tors. eta vs tors. theta energy: 3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -550.850119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.850119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.850119 (E_RNA)
where:
Base-Base interactions energy: -374.641
where: short stacking energy: -153.569
Base-Backbone interact. energy: -0.266
local terms energy: -175.943088
where:
bonds (distance) C4'-P energy: -33.505
bonds (distance) P-C4' energy: -38.266
flat angles C4'-P-C4' energy: -34.912
flat angles P-C4'-P energy: -29.588
tors. eta vs tors. theta energy: -39.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -530.729666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.729666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.729666 (E_RNA)
where:
Base-Base interactions energy: -331.556
where: short stacking energy: -160.208
Base-Backbone interact. energy: -0.887
local terms energy: -198.286332
where:
bonds (distance) C4'-P energy: -38.619
bonds (distance) P-C4' energy: -33.208
flat angles C4'-P-C4' energy: -38.170
flat angles P-C4'-P energy: -29.616
tors. eta vs tors. theta energy: -58.674
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: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -492.989352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.989352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.989352 (E_RNA)
where:
Base-Base interactions energy: -320.172
where: short stacking energy: -149.779
Base-Backbone interact. energy: 0.153
local terms energy: -172.970254
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -35.331
flat angles C4'-P-C4' energy: -39.981
flat angles P-C4'-P energy: -21.711
tors. eta vs tors. theta energy: -45.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -455.569639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.569639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.569639 (E_RNA)
where:
Base-Base interactions energy: -291.301
where: short stacking energy: -132.788
Base-Backbone interact. energy: -0.439
local terms energy: -163.829798
where:
bonds (distance) C4'-P energy: -33.802
bonds (distance) P-C4' energy: -32.680
flat angles C4'-P-C4' energy: -37.923
flat angles P-C4'-P energy: -20.907
tors. eta vs tors. theta energy: -38.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -432.048921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.048921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.048921 (E_RNA)
where:
Base-Base interactions energy: -272.085
where: short stacking energy: -130.132
Base-Backbone interact. energy: 0.778
local terms energy: -160.741461
where:
bonds (distance) C4'-P energy: -28.726
bonds (distance) P-C4' energy: -32.679
flat angles C4'-P-C4' energy: -34.938
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -44.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -197.554427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.554427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.554427 (E_RNA)
where:
Base-Base interactions energy: -82.158
where: short stacking energy: -70.819
Base-Backbone interact. energy: -0.607
local terms energy: -114.789358
where:
bonds (distance) C4'-P energy: -35.342
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -252.046806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.046806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.046806 (E_RNA)
where:
Base-Base interactions energy: -129.114
where: short stacking energy: -57.570
Base-Backbone interact. energy: 1.330
local terms energy: -124.262795
where:
bonds (distance) C4'-P energy: -38.506
bonds (distance) P-C4' energy: -33.598
flat angles C4'-P-C4' energy: -28.448
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -9.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -166.696317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.696317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.696317 (E_RNA)
where:
Base-Base interactions energy: -60.125
where: short stacking energy: -35.130
Base-Backbone interact. energy: -1.164
local terms energy: -105.407097
where:
bonds (distance) C4'-P energy: -34.422
bonds (distance) P-C4' energy: -31.729
flat angles C4'-P-C4' energy: -32.564
flat angles P-C4'-P energy: -12.902
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: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -180.946752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.946752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.946752 (E_RNA)
where:
Base-Base interactions energy: -54.309
where: short stacking energy: -47.993
Base-Backbone interact. energy: -0.161
local terms energy: -126.476286
where:
bonds (distance) C4'-P energy: -33.991
bonds (distance) P-C4' energy: -36.812
flat angles C4'-P-C4' energy: -33.620
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -10.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -156.564346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.564346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.564346 (E_RNA)
where:
Base-Base interactions energy: -67.090
where: short stacking energy: -33.648
Base-Backbone interact. energy: 1.369
local terms energy: -90.843124
where:
bonds (distance) C4'-P energy: -20.456
bonds (distance) P-C4' energy: -34.832
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: 5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -556.859478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.859478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.859478 (E_RNA)
where:
Base-Base interactions energy: -378.652
where: short stacking energy: -152.047
Base-Backbone interact. energy: 0.469
local terms energy: -178.677210
where:
bonds (distance) C4'-P energy: -35.362
bonds (distance) P-C4' energy: -34.671
flat angles C4'-P-C4' energy: -35.265
flat angles P-C4'-P energy: -29.021
tors. eta vs tors. theta energy: -44.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -523.101267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.101267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.101267 (E_RNA)
where:
Base-Base interactions energy: -340.938
where: short stacking energy: -152.900
Base-Backbone interact. energy: -0.996
local terms energy: -181.167692
where:
bonds (distance) C4'-P energy: -30.174
bonds (distance) P-C4' energy: -34.924
flat angles C4'-P-C4' energy: -40.244
flat angles P-C4'-P energy: -24.756
tors. eta vs tors. theta energy: -51.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -492.368811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.368811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.368811 (E_RNA)
where:
Base-Base interactions energy: -321.942
where: short stacking energy: -130.160
Base-Backbone interact. energy: -0.491
local terms energy: -169.935720
where:
bonds (distance) C4'-P energy: -35.735
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -33.736
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: -42.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -443.781196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.781196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.781196 (E_RNA)
where:
Base-Base interactions energy: -293.081
where: short stacking energy: -132.724
Base-Backbone interact. energy: -0.464
local terms energy: -150.236406
where:
bonds (distance) C4'-P energy: -26.795
bonds (distance) P-C4' energy: -32.666
flat angles C4'-P-C4' energy: -32.404
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -44.907
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: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -425.136096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.136096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.136096 (E_RNA)
where:
Base-Base interactions energy: -265.238
where: short stacking energy: -116.776
Base-Backbone interact. energy: -0.124
local terms energy: -159.774338
where:
bonds (distance) C4'-P energy: -31.442
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -31.568
flat angles P-C4'-P energy: -23.097
tors. eta vs tors. theta energy: -39.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -218.158993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.158993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.158993 (E_RNA)
where:
Base-Base interactions energy: -113.686
where: short stacking energy: -72.222
Base-Backbone interact. energy: -0.242
local terms energy: -104.230909
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -15.169
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: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -259.333498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.333498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.333498 (E_RNA)
where:
Base-Base interactions energy: -131.129
where: short stacking energy: -74.564
Base-Backbone interact. energy: 0.098
local terms energy: -128.302286
where:
bonds (distance) C4'-P energy: -34.410
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -37.104
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: -11.542
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: 168
Temperature: 1.250000
Total energy: -174.453755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.453755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.453755 (E_RNA)
where:
Base-Base interactions energy: -56.990
where: short stacking energy: -47.321
Base-Backbone interact. energy: -0.664
local terms energy: -116.799969
where:
bonds (distance) C4'-P energy: -26.961
bonds (distance) P-C4' energy: -35.845
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -16.330
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: 168
Temperature: 1.300000
Total energy: -162.243740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.243740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.243740 (E_RNA)
where:
Base-Base interactions energy: -62.920
where: short stacking energy: -40.839
Base-Backbone interact. energy: -2.068
local terms energy: -97.255435
where:
bonds (distance) C4'-P energy: -29.796
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -27.162
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: 9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -134.786734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.786734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.786734 (E_RNA)
where:
Base-Base interactions energy: -42.735
where: short stacking energy: -30.250
Base-Backbone interact. energy: -1.194
local terms energy: -90.857529
where:
bonds (distance) C4'-P energy: -28.526
bonds (distance) P-C4' energy: -26.305
flat angles C4'-P-C4' energy: -26.173
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: 10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -548.855754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.855754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.855754 (E_RNA)
where:
Base-Base interactions energy: -363.464
where: short stacking energy: -152.958
Base-Backbone interact. energy: -0.771
local terms energy: -184.620619
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -32.972
flat angles C4'-P-C4' energy: -40.384
flat angles P-C4'-P energy: -29.832
tors. eta vs tors. theta energy: -49.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -518.567874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.567874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.567874 (E_RNA)
where:
Base-Base interactions energy: -333.586
where: short stacking energy: -158.364
Base-Backbone interact. energy: -0.016
local terms energy: -184.965499
where:
bonds (distance) C4'-P energy: -35.197
bonds (distance) P-C4' energy: -29.878
flat angles C4'-P-C4' energy: -35.388
flat angles P-C4'-P energy: -32.385
tors. eta vs tors. theta energy: -52.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -496.179781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.179781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.179781 (E_RNA)
where:
Base-Base interactions energy: -320.479
where: short stacking energy: -131.715
Base-Backbone interact. energy: -1.992
local terms energy: -173.709099
where:
bonds (distance) C4'-P energy: -38.178
bonds (distance) P-C4' energy: -38.513
flat angles C4'-P-C4' energy: -36.733
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -37.128
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: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -475.639758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.639758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.639758 (E_RNA)
where:
Base-Base interactions energy: -306.425
where: short stacking energy: -138.240
Base-Backbone interact. energy: 0.458
local terms energy: -169.672079
where:
bonds (distance) C4'-P energy: -31.918
bonds (distance) P-C4' energy: -34.419
flat angles C4'-P-C4' energy: -31.031
flat angles P-C4'-P energy: -26.862
tors. eta vs tors. theta energy: -45.442
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: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -437.886362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.886362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.886362 (E_RNA)
where:
Base-Base interactions energy: -286.799
where: short stacking energy: -119.114
Base-Backbone interact. energy: -1.912
local terms energy: -149.175440
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -31.544
flat angles P-C4'-P energy: -21.736
tors. eta vs tors. theta energy: -34.883
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: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -285.722138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.722138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.722138 (E_RNA)
where:
Base-Base interactions energy: -159.100
where: short stacking energy: -78.788
Base-Backbone interact. energy: -0.854
local terms energy: -125.767869
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -38.172
flat angles C4'-P-C4' energy: -27.666
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -13.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -190.598070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.598070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.598070 (E_RNA)
where:
Base-Base interactions energy: -87.496
where: short stacking energy: -47.838
Base-Backbone interact. energy: 0.694
local terms energy: -103.796571
where:
bonds (distance) C4'-P energy: -31.710
bonds (distance) P-C4' energy: -27.577
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -215.770794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.770794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.770794 (E_RNA)
where:
Base-Base interactions energy: -96.085
where: short stacking energy: -51.442
Base-Backbone interact. energy: -1.730
local terms energy: -117.955601
where:
bonds (distance) C4'-P energy: -30.265
bonds (distance) P-C4' energy: -36.077
flat angles C4'-P-C4' energy: -31.956
flat angles P-C4'-P energy: -12.730
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: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -161.493570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.493570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.493570 (E_RNA)
where:
Base-Base interactions energy: -58.024
where: short stacking energy: -50.972
Base-Backbone interact. energy: -0.593
local terms energy: -102.876299
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -27.863
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: 0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -167.870970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.870970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.870970 (E_RNA)
where:
Base-Base interactions energy: -69.263
where: short stacking energy: -61.997
Base-Backbone interact. energy: -0.976
local terms energy: -97.632243
where:
bonds (distance) C4'-P energy: -29.373
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: -12.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -554.084221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.084221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.084221 (E_RNA)
where:
Base-Base interactions energy: -370.959
where: short stacking energy: -145.097
Base-Backbone interact. energy: -0.459
local terms energy: -182.666455
where:
bonds (distance) C4'-P energy: -35.660
bonds (distance) P-C4' energy: -34.849
flat angles C4'-P-C4' energy: -36.169
flat angles P-C4'-P energy: -26.721
tors. eta vs tors. theta energy: -49.266
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: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -523.894996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.894996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.894996 (E_RNA)
where:
Base-Base interactions energy: -333.770
where: short stacking energy: -170.460
Base-Backbone interact. energy: -0.053
local terms energy: -190.072626
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -35.213
flat angles C4'-P-C4' energy: -38.416
flat angles P-C4'-P energy: -26.745
tors. eta vs tors. theta energy: -57.174
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: 170
Temperature: 1.000000
Total energy: -474.889525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.889525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.889525 (E_RNA)
where:
Base-Base interactions energy: -311.212
where: short stacking energy: -133.133
Base-Backbone interact. energy: -1.523
local terms energy: -162.154685
where:
bonds (distance) C4'-P energy: -27.988
bonds (distance) P-C4' energy: -30.027
flat angles C4'-P-C4' energy: -36.878
flat angles P-C4'-P energy: -27.852
tors. eta vs tors. theta energy: -39.410
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: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -473.402069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.402069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.402069 (E_RNA)
where:
Base-Base interactions energy: -313.370
where: short stacking energy: -133.432
Base-Backbone interact. energy: -1.889
local terms energy: -158.143026
where:
bonds (distance) C4'-P energy: -31.375
bonds (distance) P-C4' energy: -34.530
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -44.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -445.142629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.142629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.142629 (E_RNA)
where:
Base-Base interactions energy: -280.016
where: short stacking energy: -121.598
Base-Backbone interact. energy: -0.151
local terms energy: -164.975775
where:
bonds (distance) C4'-P energy: -35.425
bonds (distance) P-C4' energy: -33.758
flat angles C4'-P-C4' energy: -36.332
flat angles P-C4'-P energy: -19.432
tors. eta vs tors. theta energy: -40.028
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: 170
Temperature: 1.150000
Total energy: -268.504882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.504882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.504882 (E_RNA)
where:
Base-Base interactions energy: -130.727
where: short stacking energy: -76.363
Base-Backbone interact. energy: -1.452
local terms energy: -136.326015
where:
bonds (distance) C4'-P energy: -33.051
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -33.061
flat angles P-C4'-P energy: -24.459
tors. eta vs tors. theta energy: -12.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -215.456473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.456473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.456473 (E_RNA)
where:
Base-Base interactions energy: -104.028
where: short stacking energy: -62.068
Base-Backbone interact. energy: -0.340
local terms energy: -111.088455
where:
bonds (distance) C4'-P energy: -25.500
bonds (distance) P-C4' energy: -36.793
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -18.955
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: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -179.746578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.746578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.746578 (E_RNA)
where:
Base-Base interactions energy: -55.695
where: short stacking energy: -51.971
Base-Backbone interact. energy: -1.171
local terms energy: -122.880477
where:
bonds (distance) C4'-P energy: -29.825
bonds (distance) P-C4' energy: -31.775
flat angles C4'-P-C4' energy: -31.453
flat angles P-C4'-P energy: -25.960
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -160.736291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.736291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.736291 (E_RNA)
where:
Base-Base interactions energy: -54.733
where: short stacking energy: -48.589
Base-Backbone interact. energy: 1.671
local terms energy: -107.674660
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -28.330
flat angles C4'-P-C4' energy: -31.512
flat angles P-C4'-P energy: -17.562
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: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -154.181120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.181120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.181120 (E_RNA)
where:
Base-Base interactions energy: -56.347
where: short stacking energy: -26.652
Base-Backbone interact. energy: 0.018
local terms energy: -97.852105
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -32.882
flat angles C4'-P-C4' energy: -35.849
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: 13.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -562.200417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.200417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.200417 (E_RNA)
where:
Base-Base interactions energy: -394.821
where: short stacking energy: -153.047
Base-Backbone interact. energy: -0.144
local terms energy: -167.235275
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -34.583
flat angles C4'-P-C4' energy: -34.812
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -46.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -539.606045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.606045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.606045 (E_RNA)
where:
Base-Base interactions energy: -346.688
where: short stacking energy: -164.748
Base-Backbone interact. energy: -0.093
local terms energy: -192.824786
where:
bonds (distance) C4'-P energy: -31.466
bonds (distance) P-C4' energy: -34.231
flat angles C4'-P-C4' energy: -40.487
flat angles P-C4'-P energy: -30.875
tors. eta vs tors. theta energy: -55.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -440.329809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.329809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.329809 (E_RNA)
where:
Base-Base interactions energy: -280.626
where: short stacking energy: -110.260
Base-Backbone interact. energy: -2.337
local terms energy: -157.366582
where:
bonds (distance) C4'-P energy: -26.722
bonds (distance) P-C4' energy: -28.551
flat angles C4'-P-C4' energy: -40.668
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -34.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -463.970903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.970903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.970903 (E_RNA)
where:
Base-Base interactions energy: -296.547
where: short stacking energy: -109.314
Base-Backbone interact. energy: -0.091
local terms energy: -167.333567
where:
bonds (distance) C4'-P energy: -30.562
bonds (distance) P-C4' energy: -37.690
flat angles C4'-P-C4' energy: -35.243
flat angles P-C4'-P energy: -27.388
tors. eta vs tors. theta energy: -36.450
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: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -437.711024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.711024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.711024 (E_RNA)
where:
Base-Base interactions energy: -285.525
where: short stacking energy: -125.313
Base-Backbone interact. energy: -1.488
local terms energy: -150.697750
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -33.939
flat angles C4'-P-C4' energy: -37.164
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -31.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -196.139499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.139499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.139499 (E_RNA)
where:
Base-Base interactions energy: -80.193
where: short stacking energy: -65.011
Base-Backbone interact. energy: -0.542
local terms energy: -115.404967
where:
bonds (distance) C4'-P energy: -29.232
bonds (distance) P-C4' energy: -31.237
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -191.222687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.222687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.222687 (E_RNA)
where:
Base-Base interactions energy: -84.140
where: short stacking energy: -59.037
Base-Backbone interact. energy: -1.122
local terms energy: -105.960125
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -35.897
flat angles C4'-P-C4' energy: -28.114
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -166.112918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.112918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.112918 (E_RNA)
where:
Base-Base interactions energy: -55.044
where: short stacking energy: -43.218
Base-Backbone interact. energy: -1.468
local terms energy: -109.601166
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -33.652
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -159.387807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.387807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.387807 (E_RNA)
where:
Base-Base interactions energy: -70.753
where: short stacking energy: -46.553
Base-Backbone interact. energy: 0.346
local terms energy: -88.980625
where:
bonds (distance) C4'-P energy: -31.243
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -6.124
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: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -176.022928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.022928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.022928 (E_RNA)
where:
Base-Base interactions energy: -66.921
where: short stacking energy: -56.921
Base-Backbone interact. energy: 0.077
local terms energy: -109.178808
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -33.148
flat angles C4'-P-C4' energy: -31.368
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -556.699017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.699017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.699017 (E_RNA)
where:
Base-Base interactions energy: -358.131
where: short stacking energy: -166.812
Base-Backbone interact. energy: -0.078
local terms energy: -198.489944
where:
bonds (distance) C4'-P energy: -34.673
bonds (distance) P-C4' energy: -36.707
flat angles C4'-P-C4' energy: -39.736
flat angles P-C4'-P energy: -30.935
tors. eta vs tors. theta energy: -56.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -552.151068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.151068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.151068 (E_RNA)
where:
Base-Base interactions energy: -378.119
where: short stacking energy: -145.144
Base-Backbone interact. energy: -0.148
local terms energy: -173.883725
where:
bonds (distance) C4'-P energy: -30.673
bonds (distance) P-C4' energy: -37.538
flat angles C4'-P-C4' energy: -37.292
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -47.434
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: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -512.642678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.642678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.642678 (E_RNA)
where:
Base-Base interactions energy: -355.331
where: short stacking energy: -132.486
Base-Backbone interact. energy: 2.478
local terms energy: -159.790134
where:
bonds (distance) C4'-P energy: -27.462
bonds (distance) P-C4' energy: -33.451
flat angles C4'-P-C4' energy: -35.434
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -38.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -426.594048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.594048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.594048 (E_RNA)
where:
Base-Base interactions energy: -267.801
where: short stacking energy: -113.281
Base-Backbone interact. energy: -0.295
local terms energy: -158.497814
where:
bonds (distance) C4'-P energy: -32.033
bonds (distance) P-C4' energy: -33.199
flat angles C4'-P-C4' energy: -35.106
flat angles P-C4'-P energy: -24.743
tors. eta vs tors. theta energy: -33.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -423.314861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.314861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.314861 (E_RNA)
where:
Base-Base interactions energy: -271.778
where: short stacking energy: -129.412
Base-Backbone interact. energy: -0.081
local terms energy: -151.455903
where:
bonds (distance) C4'-P energy: -30.108
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -28.989
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: -47.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -191.101415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.101415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.101415 (E_RNA)
where:
Base-Base interactions energy: -87.647
where: short stacking energy: -66.911
Base-Backbone interact. energy: 1.511
local terms energy: -104.966029
where:
bonds (distance) C4'-P energy: -25.947
bonds (distance) P-C4' energy: -28.128
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -11.497
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: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -195.571946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.571946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.571946 (E_RNA)
where:
Base-Base interactions energy: -72.841
where: short stacking energy: -58.110
Base-Backbone interact. energy: -0.356
local terms energy: -122.375233
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -29.811
flat angles C4'-P-C4' energy: -34.327
flat angles P-C4'-P energy: -22.917
tors. eta vs tors. theta energy: -7.299
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: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -170.314867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.314867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.314867 (E_RNA)
where:
Base-Base interactions energy: -69.190
where: short stacking energy: -44.587
Base-Backbone interact. energy: -0.486
local terms energy: -100.639123
where:
bonds (distance) C4'-P energy: -25.762
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -29.310
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: 7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -153.267194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.267194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.267194 (E_RNA)
where:
Base-Base interactions energy: -49.713
where: short stacking energy: -40.262
Base-Backbone interact. energy: -0.878
local terms energy: -102.676622
where:
bonds (distance) C4'-P energy: -24.415
bonds (distance) P-C4' energy: -29.492
flat angles C4'-P-C4' energy: -31.051
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: 0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -150.410903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.410903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.410903 (E_RNA)
where:
Base-Base interactions energy: -79.457
where: short stacking energy: -37.528
Base-Backbone interact. energy: 3.147
local terms energy: -74.100961
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -29.086
flat angles C4'-P-C4' energy: -32.626
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: 8.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -542.729624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.729624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.729624 (E_RNA)
where:
Base-Base interactions energy: -360.655
where: short stacking energy: -162.436
Base-Backbone interact. energy: -0.303
local terms energy: -181.771991
where:
bonds (distance) C4'-P energy: -32.409
bonds (distance) P-C4' energy: -31.789
flat angles C4'-P-C4' energy: -37.838
flat angles P-C4'-P energy: -28.820
tors. eta vs tors. theta energy: -50.916
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: 173
Temperature: 0.950000
Total energy: -547.328281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.328281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.328281 (E_RNA)
where:
Base-Base interactions energy: -364.818
where: short stacking energy: -160.919
Base-Backbone interact. energy: -0.201
local terms energy: -182.309612
where:
bonds (distance) C4'-P energy: -33.068
bonds (distance) P-C4' energy: -35.365
flat angles C4'-P-C4' energy: -37.465
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -53.127
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: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -516.850206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.850206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.850206 (E_RNA)
where:
Base-Base interactions energy: -344.782
where: short stacking energy: -136.178
Base-Backbone interact. energy: -1.205
local terms energy: -170.864084
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -37.260
flat angles P-C4'-P energy: -24.194
tors. eta vs tors. theta energy: -41.028
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: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -450.506712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.506712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.506712 (E_RNA)
where:
Base-Base interactions energy: -285.774
where: short stacking energy: -120.717
Base-Backbone interact. energy: -0.922
local terms energy: -163.810779
where:
bonds (distance) C4'-P energy: -38.075
bonds (distance) P-C4' energy: -35.710
flat angles C4'-P-C4' energy: -33.924
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -39.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -406.641310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.641310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.641310 (E_RNA)
where:
Base-Base interactions energy: -258.533
where: short stacking energy: -120.146
Base-Backbone interact. energy: -0.399
local terms energy: -147.710074
where:
bonds (distance) C4'-P energy: -34.458
bonds (distance) P-C4' energy: -27.545
flat angles C4'-P-C4' energy: -29.273
flat angles P-C4'-P energy: -24.571
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: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -198.358695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.358695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.358695 (E_RNA)
where:
Base-Base interactions energy: -73.962
where: short stacking energy: -71.589
Base-Backbone interact. energy: -0.243
local terms energy: -124.153669
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -38.417
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -21.303
tors. eta vs tors. theta energy: -9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -169.717254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.717254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.717254 (E_RNA)
where:
Base-Base interactions energy: -48.513
where: short stacking energy: -44.591
Base-Backbone interact. energy: -2.250
local terms energy: -118.954285
where:
bonds (distance) C4'-P energy: -33.892
bonds (distance) P-C4' energy: -24.459
flat angles C4'-P-C4' energy: -39.694
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -161.975011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.975011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.975011 (E_RNA)
where:
Base-Base interactions energy: -63.506
where: short stacking energy: -43.848
Base-Backbone interact. energy: -1.565
local terms energy: -96.904310
where:
bonds (distance) C4'-P energy: -30.285
bonds (distance) P-C4' energy: -31.851
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: 9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -171.009952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.009952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.009952 (E_RNA)
where:
Base-Base interactions energy: -75.606
where: short stacking energy: -45.598
Base-Backbone interact. energy: 1.141
local terms energy: -96.544186
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -28.048
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: 0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -144.819170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.819170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.819170 (E_RNA)
where:
Base-Base interactions energy: -47.559
where: short stacking energy: -39.228
Base-Backbone interact. energy: 1.777
local terms energy: -99.037427
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -36.704
flat angles C4'-P-C4' energy: -29.181
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: 7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -569.929503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.929503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.929503 (E_RNA)
where:
Base-Base interactions energy: -382.742
where: short stacking energy: -162.047
Base-Backbone interact. energy: -0.439
local terms energy: -186.748477
where:
bonds (distance) C4'-P energy: -34.314
bonds (distance) P-C4' energy: -38.583
flat angles C4'-P-C4' energy: -37.117
flat angles P-C4'-P energy: -27.259
tors. eta vs tors. theta energy: -49.475
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: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -531.605333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.605333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.605333 (E_RNA)
where:
Base-Base interactions energy: -341.217
where: short stacking energy: -151.616
Base-Backbone interact. energy: 0.634
local terms energy: -191.022204
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -38.335
flat angles C4'-P-C4' energy: -33.979
flat angles P-C4'-P energy: -25.930
tors. eta vs tors. theta energy: -54.773
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: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -490.411448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.411448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.411448 (E_RNA)
where:
Base-Base interactions energy: -323.002
where: short stacking energy: -150.935
Base-Backbone interact. energy: -0.622
local terms energy: -166.787499
where:
bonds (distance) C4'-P energy: -33.343
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -48.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -445.543392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.543392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.543392 (E_RNA)
where:
Base-Base interactions energy: -287.696
where: short stacking energy: -137.551
Base-Backbone interact. energy: -1.391
local terms energy: -156.456973
where:
bonds (distance) C4'-P energy: -25.351
bonds (distance) P-C4' energy: -32.009
flat angles C4'-P-C4' energy: -33.042
flat angles P-C4'-P energy: -21.920
tors. eta vs tors. theta energy: -44.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -428.492962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.492962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.492962 (E_RNA)
where:
Base-Base interactions energy: -277.726
where: short stacking energy: -145.876
Base-Backbone interact. energy: -0.405
local terms energy: -150.361081
where:
bonds (distance) C4'-P energy: -33.617
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -39.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -277.035429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.035429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.035429 (E_RNA)
where:
Base-Base interactions energy: -136.293
where: short stacking energy: -66.906
Base-Backbone interact. energy: 0.103
local terms energy: -140.845376
where:
bonds (distance) C4'-P energy: -37.643
bonds (distance) P-C4' energy: -39.369
flat angles C4'-P-C4' energy: -31.641
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -206.847478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.847478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.847478 (E_RNA)
where:
Base-Base interactions energy: -107.926
where: short stacking energy: -57.591
Base-Backbone interact. energy: 0.738
local terms energy: -99.659086
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -27.295
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -164.206293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.206293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.206293 (E_RNA)
where:
Base-Base interactions energy: -55.874
where: short stacking energy: -41.141
Base-Backbone interact. energy: 1.111
local terms energy: -109.443391
where:
bonds (distance) C4'-P energy: -22.813
bonds (distance) P-C4' energy: -36.322
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -160.866026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.866026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.866026 (E_RNA)
where:
Base-Base interactions energy: -58.349
where: short stacking energy: -30.456
Base-Backbone interact. energy: 0.456
local terms energy: -102.973124
where:
bonds (distance) C4'-P energy: -34.919
bonds (distance) P-C4' energy: -32.921
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -20.666
tors. eta vs tors. theta energy: 4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -162.568889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.568889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.568889 (E_RNA)
where:
Base-Base interactions energy: -49.915
where: short stacking energy: -46.021
Base-Backbone interact. energy: -0.869
local terms energy: -111.785399
where:
bonds (distance) C4'-P energy: -32.575
bonds (distance) P-C4' energy: -34.075
flat angles C4'-P-C4' energy: -25.807
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -565.346451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.346451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.346451 (E_RNA)
where:
Base-Base interactions energy: -374.423
where: short stacking energy: -159.189
Base-Backbone interact. energy: -0.424
local terms energy: -190.499017
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -36.517
flat angles C4'-P-C4' energy: -37.689
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -55.573
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: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -523.531726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.531726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.531726 (E_RNA)
where:
Base-Base interactions energy: -340.943
where: short stacking energy: -162.450
Base-Backbone interact. energy: -0.033
local terms energy: -182.555586
where:
bonds (distance) C4'-P energy: -39.089
bonds (distance) P-C4' energy: -31.218
flat angles C4'-P-C4' energy: -30.287
flat angles P-C4'-P energy: -27.092
tors. eta vs tors. theta energy: -54.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -470.559824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.559824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.559824 (E_RNA)
where:
Base-Base interactions energy: -301.821
where: short stacking energy: -134.410
Base-Backbone interact. energy: 0.130
local terms energy: -168.869651
where:
bonds (distance) C4'-P energy: -38.305
bonds (distance) P-C4' energy: -35.500
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -45.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -450.531114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.531114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.531114 (E_RNA)
where:
Base-Base interactions energy: -277.692
where: short stacking energy: -132.701
Base-Backbone interact. energy: -0.624
local terms energy: -172.215351
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -39.086
flat angles C4'-P-C4' energy: -39.895
flat angles P-C4'-P energy: -29.668
tors. eta vs tors. theta energy: -42.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -446.537899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.537899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.537899 (E_RNA)
where:
Base-Base interactions energy: -282.063
where: short stacking energy: -141.454
Base-Backbone interact. energy: 0.123
local terms energy: -164.598288
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -43.355
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: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -258.037057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.037057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.037057 (E_RNA)
where:
Base-Base interactions energy: -135.934
where: short stacking energy: -83.151
Base-Backbone interact. energy: 0.402
local terms energy: -122.505253
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -28.618
flat angles C4'-P-C4' energy: -29.941
flat angles P-C4'-P energy: -20.162
tors. eta vs tors. theta energy: -23.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -214.526353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.526353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.526353 (E_RNA)
where:
Base-Base interactions energy: -104.723
where: short stacking energy: -57.058
Base-Backbone interact. energy: -0.524
local terms energy: -109.279121
where:
bonds (distance) C4'-P energy: -35.139
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -31.344
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -201.614310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.614310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.614310 (E_RNA)
where:
Base-Base interactions energy: -84.118
where: short stacking energy: -58.210
Base-Backbone interact. energy: -1.256
local terms energy: -116.240513
where:
bonds (distance) C4'-P energy: -31.113
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -176.770029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.770029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.770029 (E_RNA)
where:
Base-Base interactions energy: -77.474
where: short stacking energy: -50.697
Base-Backbone interact. energy: -0.522
local terms energy: -98.774241
where:
bonds (distance) C4'-P energy: -28.452
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: 0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -167.323793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.323793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.323793 (E_RNA)
where:
Base-Base interactions energy: -57.593
where: short stacking energy: -40.248
Base-Backbone interact. energy: 1.797
local terms energy: -111.527052
where:
bonds (distance) C4'-P energy: -37.674
bonds (distance) P-C4' energy: -36.945
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: 6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -543.796023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.796023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.796023 (E_RNA)
where:
Base-Base interactions energy: -356.124
where: short stacking energy: -165.245
Base-Backbone interact. energy: -0.025
local terms energy: -187.646216
where:
bonds (distance) C4'-P energy: -33.839
bonds (distance) P-C4' energy: -37.158
flat angles C4'-P-C4' energy: -40.074
flat angles P-C4'-P energy: -21.176
tors. eta vs tors. theta energy: -55.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -552.925830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.925830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.925830 (E_RNA)
where:
Base-Base interactions energy: -361.155
where: short stacking energy: -157.640
Base-Backbone interact. energy: -0.192
local terms energy: -191.579238
where:
bonds (distance) C4'-P energy: -36.864
bonds (distance) P-C4' energy: -32.565
flat angles C4'-P-C4' energy: -37.502
flat angles P-C4'-P energy: -29.275
tors. eta vs tors. theta energy: -55.373
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: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -462.555927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.555927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.555927 (E_RNA)
where:
Base-Base interactions energy: -289.089
where: short stacking energy: -136.788
Base-Backbone interact. energy: -0.433
local terms energy: -173.034120
where:
bonds (distance) C4'-P energy: -35.243
bonds (distance) P-C4' energy: -36.166
flat angles C4'-P-C4' energy: -35.635
flat angles P-C4'-P energy: -24.986
tors. eta vs tors. theta energy: -41.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -446.820858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.820858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.820858 (E_RNA)
where:
Base-Base interactions energy: -295.057
where: short stacking energy: -124.517
Base-Backbone interact. energy: -0.644
local terms energy: -151.120562
where:
bonds (distance) C4'-P energy: -30.290
bonds (distance) P-C4' energy: -33.628
flat angles C4'-P-C4' energy: -38.134
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -28.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -405.122894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.122894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.122894 (E_RNA)
where:
Base-Base interactions energy: -243.146
where: short stacking energy: -103.263
Base-Backbone interact. energy: 0.334
local terms energy: -162.311013
where:
bonds (distance) C4'-P energy: -36.578
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -33.415
flat angles P-C4'-P energy: -28.777
tors. eta vs tors. theta energy: -30.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -285.523435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.523435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.523435 (E_RNA)
where:
Base-Base interactions energy: -143.024
where: short stacking energy: -85.086
Base-Backbone interact. energy: -0.313
local terms energy: -142.186946
where:
bonds (distance) C4'-P energy: -24.866
bonds (distance) P-C4' energy: -34.660
flat angles C4'-P-C4' energy: -41.570
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -180.678743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.678743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.678743 (E_RNA)
where:
Base-Base interactions energy: -70.186
where: short stacking energy: -47.100
Base-Backbone interact. energy: 1.285
local terms energy: -111.777169
where:
bonds (distance) C4'-P energy: -34.385
bonds (distance) P-C4' energy: -38.511
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -21.320
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -160.507498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.507498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.507498 (E_RNA)
where:
Base-Base interactions energy: -60.749
where: short stacking energy: -38.806
Base-Backbone interact. energy: 0.138
local terms energy: -99.896416
where:
bonds (distance) C4'-P energy: -31.408
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -26.485
flat angles P-C4'-P energy: -22.041
tors. eta vs tors. theta energy: 7.038
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: 176
Temperature: 1.300000
Total energy: -163.050026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.050026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.050026 (E_RNA)
where:
Base-Base interactions energy: -52.214
where: short stacking energy: -34.232
Base-Backbone interact. energy: 0.353
local terms energy: -111.188915
where:
bonds (distance) C4'-P energy: -28.756
bonds (distance) P-C4' energy: -31.575
flat angles C4'-P-C4' energy: -33.866
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: 1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -148.577610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.577610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.577610 (E_RNA)
where:
Base-Base interactions energy: -48.655
where: short stacking energy: -37.303
Base-Backbone interact. energy: -0.621
local terms energy: -99.301552
where:
bonds (distance) C4'-P energy: -34.627
bonds (distance) P-C4' energy: -27.866
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: 6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -535.841672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.841672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.841672 (E_RNA)
where:
Base-Base interactions energy: -345.746
where: short stacking energy: -164.980
Base-Backbone interact. energy: -0.581
local terms energy: -189.515282
where:
bonds (distance) C4'-P energy: -35.920
bonds (distance) P-C4' energy: -38.137
flat angles C4'-P-C4' energy: -36.627
flat angles P-C4'-P energy: -22.593
tors. eta vs tors. theta energy: -56.239
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: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -558.030146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.030146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.030146 (E_RNA)
where:
Base-Base interactions energy: -375.700
where: short stacking energy: -164.724
Base-Backbone interact. energy: -0.265
local terms energy: -182.065073
where:
bonds (distance) C4'-P energy: -35.331
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -38.669
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -51.314
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: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -430.810322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.810322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.810322 (E_RNA)
where:
Base-Base interactions energy: -263.873
where: short stacking energy: -121.025
Base-Backbone interact. energy: -0.302
local terms energy: -166.635368
where:
bonds (distance) C4'-P energy: -33.018
bonds (distance) P-C4' energy: -39.456
flat angles C4'-P-C4' energy: -32.024
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -37.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -444.623397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.623397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.623397 (E_RNA)
where:
Base-Base interactions energy: -299.395
where: short stacking energy: -148.521
Base-Backbone interact. energy: 0.017
local terms energy: -145.245941
where:
bonds (distance) C4'-P energy: -28.304
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -33.277
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -40.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -409.059235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.059235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.059235 (E_RNA)
where:
Base-Base interactions energy: -276.865
where: short stacking energy: -110.818
Base-Backbone interact. energy: 5.237
local terms energy: -137.432058
where:
bonds (distance) C4'-P energy: -34.294
bonds (distance) P-C4' energy: -25.730
flat angles C4'-P-C4' energy: -32.448
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -34.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -255.152645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.152645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.152645 (E_RNA)
where:
Base-Base interactions energy: -137.504
where: short stacking energy: -84.589
Base-Backbone interact. energy: -0.103
local terms energy: -117.545853
where:
bonds (distance) C4'-P energy: -24.414
bonds (distance) P-C4' energy: -31.621
flat angles C4'-P-C4' energy: -36.300
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -13.506
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: 177
Temperature: 1.200000
Total energy: -210.195466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.195466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.195466 (E_RNA)
where:
Base-Base interactions energy: -88.978
where: short stacking energy: -55.263
Base-Backbone interact. energy: -2.029
local terms energy: -119.189110
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -30.000
flat angles C4'-P-C4' energy: -29.280
flat angles P-C4'-P energy: -23.745
tors. eta vs tors. theta energy: -1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -173.704225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.704225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.704225 (E_RNA)
where:
Base-Base interactions energy: -84.095
where: short stacking energy: -70.054
Base-Backbone interact. energy: 0.323
local terms energy: -89.932527
where:
bonds (distance) C4'-P energy: -29.384
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -26.128
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -148.465786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.465786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.465786 (E_RNA)
where:
Base-Base interactions energy: -36.476
where: short stacking energy: -35.531
Base-Backbone interact. energy: -0.405
local terms energy: -111.584995
where:
bonds (distance) C4'-P energy: -33.942
bonds (distance) P-C4' energy: -30.951
flat angles C4'-P-C4' energy: -22.471
flat angles P-C4'-P energy: -20.056
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -149.189879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.189879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.189879 (E_RNA)
where:
Base-Base interactions energy: -60.732
where: short stacking energy: -41.068
Base-Backbone interact. energy: -0.757
local terms energy: -87.701652
where:
bonds (distance) C4'-P energy: -25.021
bonds (distance) P-C4' energy: -31.055
flat angles C4'-P-C4' energy: -25.486
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: 6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -575.694471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.694471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.694471 (E_RNA)
where:
Base-Base interactions energy: -395.329
where: short stacking energy: -164.060
Base-Backbone interact. energy: -0.030
local terms energy: -180.335258
where:
bonds (distance) C4'-P energy: -33.808
bonds (distance) P-C4' energy: -30.553
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -54.042
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: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -519.280677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.280677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.280677 (E_RNA)
where:
Base-Base interactions energy: -330.987
where: short stacking energy: -151.255
Base-Backbone interact. energy: -0.163
local terms energy: -188.131227
where:
bonds (distance) C4'-P energy: -38.834
bonds (distance) P-C4' energy: -37.781
flat angles C4'-P-C4' energy: -32.921
flat angles P-C4'-P energy: -25.832
tors. eta vs tors. theta energy: -52.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -453.899277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.899277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.899277 (E_RNA)
where:
Base-Base interactions energy: -287.975
where: short stacking energy: -132.412
Base-Backbone interact. energy: 0.208
local terms energy: -166.133050
where:
bonds (distance) C4'-P energy: -33.893
bonds (distance) P-C4' energy: -33.870
flat angles C4'-P-C4' energy: -33.810
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -41.179
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: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -421.683049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.683049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.683049 (E_RNA)
where:
Base-Base interactions energy: -260.789
where: short stacking energy: -128.373
Base-Backbone interact. energy: -0.316
local terms energy: -160.577382
where:
bonds (distance) C4'-P energy: -28.136
bonds (distance) P-C4' energy: -36.342
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -23.954
tors. eta vs tors. theta energy: -39.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -420.060378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.060378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.060378 (E_RNA)
where:
Base-Base interactions energy: -270.259
where: short stacking energy: -115.456
Base-Backbone interact. energy: -1.047
local terms energy: -148.754780
where:
bonds (distance) C4'-P energy: -28.638
bonds (distance) P-C4' energy: -32.978
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -26.837
tors. eta vs tors. theta energy: -30.810
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: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -249.678201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.678201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.678201 (E_RNA)
where:
Base-Base interactions energy: -135.775
where: short stacking energy: -65.395
Base-Backbone interact. energy: -0.885
local terms energy: -113.018067
where:
bonds (distance) C4'-P energy: -27.032
bonds (distance) P-C4' energy: -38.876
flat angles C4'-P-C4' energy: -24.839
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -212.212775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.212775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.212775 (E_RNA)
where:
Base-Base interactions energy: -102.636
where: short stacking energy: -65.411
Base-Backbone interact. energy: -0.149
local terms energy: -109.426851
where:
bonds (distance) C4'-P energy: -32.612
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -20.918
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: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -169.710009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.710009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.710009 (E_RNA)
where:
Base-Base interactions energy: -67.083
where: short stacking energy: -31.906
Base-Backbone interact. energy: -1.850
local terms energy: -100.777524
where:
bonds (distance) C4'-P energy: -29.329
bonds (distance) P-C4' energy: -36.186
flat angles C4'-P-C4' energy: -32.446
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: 10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -192.331498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.331498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.331498 (E_RNA)
where:
Base-Base interactions energy: -93.345
where: short stacking energy: -57.322
Base-Backbone interact. energy: -0.670
local terms energy: -98.317382
where:
bonds (distance) C4'-P energy: -27.774
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -29.828
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -6.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -146.667563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.667563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.667563 (E_RNA)
where:
Base-Base interactions energy: -59.336
where: short stacking energy: -43.685
Base-Backbone interact. energy: 0.351
local terms energy: -87.682107
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -26.099
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -565.267640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.267640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.267640 (E_RNA)
where:
Base-Base interactions energy: -388.786
where: short stacking energy: -172.322
Base-Backbone interact. energy: 0.199
local terms energy: -176.681172
where:
bonds (distance) C4'-P energy: -31.850
bonds (distance) P-C4' energy: -35.339
flat angles C4'-P-C4' energy: -41.546
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -49.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -512.489989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.489989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.489989 (E_RNA)
where:
Base-Base interactions energy: -330.651
where: short stacking energy: -163.827
Base-Backbone interact. energy: -0.004
local terms energy: -181.835430
where:
bonds (distance) C4'-P energy: -35.551
bonds (distance) P-C4' energy: -32.610
flat angles C4'-P-C4' energy: -36.416
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: -58.677
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: 179
Temperature: 1.000000
Total energy: -451.128649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.128649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.128649 (E_RNA)
where:
Base-Base interactions energy: -283.092
where: short stacking energy: -128.313
Base-Backbone interact. energy: -0.381
local terms energy: -167.655923
where:
bonds (distance) C4'-P energy: -31.068
bonds (distance) P-C4' energy: -35.193
flat angles C4'-P-C4' energy: -40.468
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -38.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -426.941072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.941072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.941072 (E_RNA)
where:
Base-Base interactions energy: -262.687
where: short stacking energy: -128.673
Base-Backbone interact. energy: -0.136
local terms energy: -164.117256
where:
bonds (distance) C4'-P energy: -34.281
bonds (distance) P-C4' energy: -36.410
flat angles C4'-P-C4' energy: -33.322
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -37.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -391.123232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.123232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.123232 (E_RNA)
where:
Base-Base interactions energy: -231.318
where: short stacking energy: -100.487
Base-Backbone interact. energy: -0.266
local terms energy: -159.539459
where:
bonds (distance) C4'-P energy: -33.802
bonds (distance) P-C4' energy: -35.397
flat angles C4'-P-C4' energy: -33.955
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -32.255
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: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -239.597477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.597477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.597477 (E_RNA)
where:
Base-Base interactions energy: -118.177
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.624
local terms energy: -120.796300
where:
bonds (distance) C4'-P energy: -33.635
bonds (distance) P-C4' energy: -28.956
flat angles C4'-P-C4' energy: -33.335
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -178.089712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.089712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.089712 (E_RNA)
where:
Base-Base interactions energy: -64.054
where: short stacking energy: -48.193
Base-Backbone interact. energy: 0.406
local terms energy: -114.441369
where:
bonds (distance) C4'-P energy: -33.035
bonds (distance) P-C4' energy: -30.118
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -19.617
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: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -191.398876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.398876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.398876 (E_RNA)
where:
Base-Base interactions energy: -87.000
where: short stacking energy: -50.594
Base-Backbone interact. energy: -0.355
local terms energy: -104.043420
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -17.572
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: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -200.468017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.468017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.468017 (E_RNA)
where:
Base-Base interactions energy: -105.089
where: short stacking energy: -51.841
Base-Backbone interact. energy: 0.169
local terms energy: -95.547979
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -34.734
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: 8.280
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: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -144.648381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.648381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.648381 (E_RNA)
where:
Base-Base interactions energy: -52.286
where: short stacking energy: -35.589
Base-Backbone interact. energy: 2.051
local terms energy: -94.413082
where:
bonds (distance) C4'-P energy: -25.331
bonds (distance) P-C4' energy: -30.098
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: 5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -553.376377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.376377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.376377 (E_RNA)
where:
Base-Base interactions energy: -383.444
where: short stacking energy: -154.855
Base-Backbone interact. energy: -0.039
local terms energy: -169.894092
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -37.262
flat angles C4'-P-C4' energy: -32.195
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -55.092
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: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -537.557748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.557748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.557748 (E_RNA)
where:
Base-Base interactions energy: -339.846
where: short stacking energy: -155.659
Base-Backbone interact. energy: -0.288
local terms energy: -197.424006
where:
bonds (distance) C4'-P energy: -34.146
bonds (distance) P-C4' energy: -39.100
flat angles C4'-P-C4' energy: -37.735
flat angles P-C4'-P energy: -27.520
tors. eta vs tors. theta energy: -58.923
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: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -462.540312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.540312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.540312 (E_RNA)
where:
Base-Base interactions energy: -295.714
where: short stacking energy: -135.005
Base-Backbone interact. energy: -0.026
local terms energy: -166.799851
where:
bonds (distance) C4'-P energy: -33.446
bonds (distance) P-C4' energy: -35.680
flat angles C4'-P-C4' energy: -32.387
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: -43.989
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: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -432.152508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.152508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.152508 (E_RNA)
where:
Base-Base interactions energy: -272.362
where: short stacking energy: -128.178
Base-Backbone interact. energy: -0.252
local terms energy: -159.539105
where:
bonds (distance) C4'-P energy: -32.838
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -24.527
tors. eta vs tors. theta energy: -38.823
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: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -394.728368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.728368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.728368 (E_RNA)
where:
Base-Base interactions energy: -242.479
where: short stacking energy: -113.218
Base-Backbone interact. energy: -0.653
local terms energy: -151.596993
where:
bonds (distance) C4'-P energy: -26.622
bonds (distance) P-C4' energy: -27.337
flat angles C4'-P-C4' energy: -36.647
flat angles P-C4'-P energy: -23.820
tors. eta vs tors. theta energy: -37.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -266.480843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.480843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.480843 (E_RNA)
where:
Base-Base interactions energy: -150.113
where: short stacking energy: -71.956
Base-Backbone interact. energy: -3.721
local terms energy: -112.647364
where:
bonds (distance) C4'-P energy: -34.935
bonds (distance) P-C4' energy: -28.630
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -178.022921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.022921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.022921 (E_RNA)
where:
Base-Base interactions energy: -75.309
where: short stacking energy: -59.728
Base-Backbone interact. energy: 0.074
local terms energy: -102.788438
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -30.917
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -164.136503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.136503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.136503 (E_RNA)
where:
Base-Base interactions energy: -72.439
where: short stacking energy: -51.969
Base-Backbone interact. energy: 0.607
local terms energy: -92.304582
where:
bonds (distance) C4'-P energy: -27.553
bonds (distance) P-C4' energy: -30.697
flat angles C4'-P-C4' energy: -29.986
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: 11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -174.889465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.889465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.889465 (E_RNA)
where:
Base-Base interactions energy: -76.550
where: short stacking energy: -56.978
Base-Backbone interact. energy: -0.822
local terms energy: -97.517086
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -26.016
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -167.842006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.842006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.842006 (E_RNA)
where:
Base-Base interactions energy: -71.289
where: short stacking energy: -32.476
Base-Backbone interact. energy: -2.569
local terms energy: -93.984001
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -31.500
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: 10.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -570.926099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.926099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.926099 (E_RNA)
where:
Base-Base interactions energy: -380.624
where: short stacking energy: -157.888
Base-Backbone interact. energy: 0.417
local terms energy: -190.718436
where:
bonds (distance) C4'-P energy: -35.126
bonds (distance) P-C4' energy: -34.739
flat angles C4'-P-C4' energy: -43.215
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -52.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -531.887997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.887997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.887997 (E_RNA)
where:
Base-Base interactions energy: -349.386
where: short stacking energy: -160.534
Base-Backbone interact. energy: -0.642
local terms energy: -181.859786
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -34.834
flat angles C4'-P-C4' energy: -36.949
flat angles P-C4'-P energy: -27.215
tors. eta vs tors. theta energy: -55.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -468.142841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.142841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.142841 (E_RNA)
where:
Base-Base interactions energy: -307.255
where: short stacking energy: -115.217
Base-Backbone interact. energy: -1.268
local terms energy: -159.619919
where:
bonds (distance) C4'-P energy: -36.359
bonds (distance) P-C4' energy: -34.054
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -39.888
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: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -428.528033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.528033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.528033 (E_RNA)
where:
Base-Base interactions energy: -274.288
where: short stacking energy: -138.993
Base-Backbone interact. energy: -0.185
local terms energy: -154.054672
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -37.585
flat angles P-C4'-P energy: -22.759
tors. eta vs tors. theta energy: -36.925
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: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -371.792123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.792123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.792123 (E_RNA)
where:
Base-Base interactions energy: -219.441
where: short stacking energy: -115.030
Base-Backbone interact. energy: -0.537
local terms energy: -151.814166
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -36.925
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -32.939
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: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -271.425390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.425390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.425390 (E_RNA)
where:
Base-Base interactions energy: -141.221
where: short stacking energy: -73.890
Base-Backbone interact. energy: 0.506
local terms energy: -130.711212
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -33.631
flat angles C4'-P-C4' energy: -36.877
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -15.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -202.503296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.503296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.503296 (E_RNA)
where:
Base-Base interactions energy: -95.156
where: short stacking energy: -64.977
Base-Backbone interact. energy: 1.207
local terms energy: -108.553925
where:
bonds (distance) C4'-P energy: -30.953
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -28.999
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -7.985
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: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -179.029670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.029670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.029670 (E_RNA)
where:
Base-Base interactions energy: -61.511
where: short stacking energy: -42.564
Base-Backbone interact. energy: 0.181
local terms energy: -117.699785
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -28.033
flat angles C4'-P-C4' energy: -32.140
flat angles P-C4'-P energy: -28.855
tors. eta vs tors. theta energy: 2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -159.185461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.185461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.185461 (E_RNA)
where:
Base-Base interactions energy: -49.857
where: short stacking energy: -42.120
Base-Backbone interact. energy: 1.519
local terms energy: -110.847798
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -32.899
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -25.861
tors. eta vs tors. theta energy: 0.120
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: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -148.355262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.355262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.355262 (E_RNA)
where:
Base-Base interactions energy: -36.936
where: short stacking energy: -29.071
Base-Backbone interact. energy: -0.097
local terms energy: -111.322143
where:
bonds (distance) C4'-P energy: -31.285
bonds (distance) P-C4' energy: -29.560
flat angles C4'-P-C4' energy: -26.089
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -561.912331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.912331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.912331 (E_RNA)
where:
Base-Base interactions energy: -376.378
where: short stacking energy: -161.742
Base-Backbone interact. energy: -0.503
local terms energy: -185.031370
where:
bonds (distance) C4'-P energy: -32.324
bonds (distance) P-C4' energy: -33.046
flat angles C4'-P-C4' energy: -36.512
flat angles P-C4'-P energy: -27.021
tors. eta vs tors. theta energy: -56.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -537.167711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.167711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.167711 (E_RNA)
where:
Base-Base interactions energy: -345.134
where: short stacking energy: -162.833
Base-Backbone interact. energy: -0.938
local terms energy: -191.095869
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -35.956
flat angles C4'-P-C4' energy: -39.769
flat angles P-C4'-P energy: -25.845
tors. eta vs tors. theta energy: -56.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -436.557688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.557688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.557688 (E_RNA)
where:
Base-Base interactions energy: -271.956
where: short stacking energy: -122.626
Base-Backbone interact. energy: -0.291
local terms energy: -164.311464
where:
bonds (distance) C4'-P energy: -31.661
bonds (distance) P-C4' energy: -37.733
flat angles C4'-P-C4' energy: -37.040
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -36.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -467.536041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.536041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.536041 (E_RNA)
where:
Base-Base interactions energy: -309.609
where: short stacking energy: -134.430
Base-Backbone interact. energy: -1.748
local terms energy: -156.179588
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -28.967
flat angles C4'-P-C4' energy: -35.718
flat angles P-C4'-P energy: -21.954
tors. eta vs tors. theta energy: -40.685
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: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -353.233024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.233024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.233024 (E_RNA)
where:
Base-Base interactions energy: -216.804
where: short stacking energy: -88.708
Base-Backbone interact. energy: -0.609
local terms energy: -135.820285
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -29.854
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -27.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -265.420429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.420429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.420429 (E_RNA)
where:
Base-Base interactions energy: -126.742
where: short stacking energy: -69.165
Base-Backbone interact. energy: -0.521
local terms energy: -138.157300
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -33.643
flat angles C4'-P-C4' energy: -34.406
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -22.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -188.726282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.726282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.726282 (E_RNA)
where:
Base-Base interactions energy: -73.321
where: short stacking energy: -55.939
Base-Backbone interact. energy: -1.251
local terms energy: -114.155042
where:
bonds (distance) C4'-P energy: -31.839
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -27.871
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -192.723824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.723824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.723824 (E_RNA)
where:
Base-Base interactions energy: -70.671
where: short stacking energy: -70.671
Base-Backbone interact. energy: 0.711
local terms energy: -122.763215
where:
bonds (distance) C4'-P energy: -31.412
bonds (distance) P-C4' energy: -41.131
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -193.382826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.382826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.382826 (E_RNA)
where:
Base-Base interactions energy: -97.311
where: short stacking energy: -44.702
Base-Backbone interact. energy: 1.425
local terms energy: -97.496856
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -37.511
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: 6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -172.478951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.478951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.478951 (E_RNA)
where:
Base-Base interactions energy: -62.390
where: short stacking energy: -39.824
Base-Backbone interact. energy: 0.024
local terms energy: -110.112459
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -34.502
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -16.230
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: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -571.194861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.194861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.194861 (E_RNA)
where:
Base-Base interactions energy: -379.480
where: short stacking energy: -171.674
Base-Backbone interact. energy: -2.899
local terms energy: -188.816499
where:
bonds (distance) C4'-P energy: -35.747
bonds (distance) P-C4' energy: -33.687
flat angles C4'-P-C4' energy: -41.652
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -52.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -525.843907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.843907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.843907 (E_RNA)
where:
Base-Base interactions energy: -333.308
where: short stacking energy: -164.310
Base-Backbone interact. energy: -0.021
local terms energy: -192.515200
where:
bonds (distance) C4'-P energy: -34.312
bonds (distance) P-C4' energy: -29.176
flat angles C4'-P-C4' energy: -42.428
flat angles P-C4'-P energy: -30.634
tors. eta vs tors. theta energy: -55.966
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: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -427.868453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.868453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.868453 (E_RNA)
where:
Base-Base interactions energy: -252.250
where: short stacking energy: -121.462
Base-Backbone interact. energy: -0.760
local terms energy: -174.858089
where:
bonds (distance) C4'-P energy: -40.860
bonds (distance) P-C4' energy: -35.238
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: -38.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -463.158180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.158180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.158180 (E_RNA)
where:
Base-Base interactions energy: -300.193
where: short stacking energy: -127.220
Base-Backbone interact. energy: -0.471
local terms energy: -162.494274
where:
bonds (distance) C4'-P energy: -32.030
bonds (distance) P-C4' energy: -39.046
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -21.661
tors. eta vs tors. theta energy: -35.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -362.575116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.575116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.575116 (E_RNA)
where:
Base-Base interactions energy: -221.230
where: short stacking energy: -105.481
Base-Backbone interact. energy: 0.053
local terms energy: -141.398294
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -29.749
flat angles C4'-P-C4' energy: -37.489
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -27.779
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: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -289.067124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.067124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.067124 (E_RNA)
where:
Base-Base interactions energy: -155.360
where: short stacking energy: -73.814
Base-Backbone interact. energy: -1.174
local terms energy: -132.533046
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -30.764
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -191.348145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.348145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.348145 (E_RNA)
where:
Base-Base interactions energy: -79.916
where: short stacking energy: -49.421
Base-Backbone interact. energy: -0.550
local terms energy: -110.882194
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -37.610
flat angles C4'-P-C4' energy: -29.651
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: 0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -208.058536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.058536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.058536 (E_RNA)
where:
Base-Base interactions energy: -98.515
where: short stacking energy: -68.042
Base-Backbone interact. energy: -0.384
local terms energy: -109.159512
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -25.789
flat angles C4'-P-C4' energy: -33.040
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -180.898426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.898426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.898426 (E_RNA)
where:
Base-Base interactions energy: -70.355
where: short stacking energy: -41.500
Base-Backbone interact. energy: -0.869
local terms energy: -109.673777
where:
bonds (distance) C4'-P energy: -33.737
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -17.879
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: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -155.859357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.859357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.859357 (E_RNA)
where:
Base-Base interactions energy: -47.082
where: short stacking energy: -41.749
Base-Backbone interact. energy: 0.597
local terms energy: -109.374489
where:
bonds (distance) C4'-P energy: -27.768
bonds (distance) P-C4' energy: -27.014
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -575.979561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.979561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.979561 (E_RNA)
where:
Base-Base interactions energy: -382.496
where: short stacking energy: -167.269
Base-Backbone interact. energy: -0.060
local terms energy: -193.423798
where:
bonds (distance) C4'-P energy: -34.198
bonds (distance) P-C4' energy: -36.289
flat angles C4'-P-C4' energy: -32.556
flat angles P-C4'-P energy: -29.139
tors. eta vs tors. theta energy: -61.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -531.516507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.516507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.516507 (E_RNA)
where:
Base-Base interactions energy: -342.580
where: short stacking energy: -169.315
Base-Backbone interact. energy: -0.515
local terms energy: -188.421575
where:
bonds (distance) C4'-P energy: -30.539
bonds (distance) P-C4' energy: -35.522
flat angles C4'-P-C4' energy: -34.867
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -61.975
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: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -459.166379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.166379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.166379 (E_RNA)
where:
Base-Base interactions energy: -292.153
where: short stacking energy: -113.009
Base-Backbone interact. energy: -1.217
local terms energy: -165.797022
where:
bonds (distance) C4'-P energy: -29.451
bonds (distance) P-C4' energy: -40.692
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -25.414
tors. eta vs tors. theta energy: -36.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -407.283298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.283298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.283298 (E_RNA)
where:
Base-Base interactions energy: -257.005
where: short stacking energy: -99.362
Base-Backbone interact. energy: -0.109
local terms energy: -150.169577
where:
bonds (distance) C4'-P energy: -32.142
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -34.131
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -26.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -375.706997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.706997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.706997 (E_RNA)
where:
Base-Base interactions energy: -236.382
where: short stacking energy: -107.968
Base-Backbone interact. energy: 0.094
local terms energy: -139.418979
where:
bonds (distance) C4'-P energy: -31.002
bonds (distance) P-C4' energy: -28.755
flat angles C4'-P-C4' energy: -29.419
flat angles P-C4'-P energy: -18.323
tors. eta vs tors. theta energy: -31.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -311.537038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.537038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.537038 (E_RNA)
where:
Base-Base interactions energy: -179.340
where: short stacking energy: -76.092
Base-Backbone interact. energy: 1.579
local terms energy: -133.776537
where:
bonds (distance) C4'-P energy: -33.224
bonds (distance) P-C4' energy: -32.730
flat angles C4'-P-C4' energy: -25.637
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -25.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -268.745702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.745702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.745702 (E_RNA)
where:
Base-Base interactions energy: -145.683
where: short stacking energy: -69.114
Base-Backbone interact. energy: -0.000
local terms energy: -123.062226
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -28.825
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -21.334
tors. eta vs tors. theta energy: -8.842
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: 184
Temperature: 1.250000
Total energy: -198.066128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.066128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.066128 (E_RNA)
where:
Base-Base interactions energy: -90.543
where: short stacking energy: -48.620
Base-Backbone interact. energy: 0.240
local terms energy: -107.762999
where:
bonds (distance) C4'-P energy: -26.989
bonds (distance) P-C4' energy: -34.894
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -163.824569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.824569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.824569 (E_RNA)
where:
Base-Base interactions energy: -59.258
where: short stacking energy: -57.226
Base-Backbone interact. energy: -0.558
local terms energy: -104.009344
where:
bonds (distance) C4'-P energy: -25.178
bonds (distance) P-C4' energy: -37.060
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -157.170630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.170630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.170630 (E_RNA)
where:
Base-Base interactions energy: -63.387
where: short stacking energy: -41.534
Base-Backbone interact. energy: -0.415
local terms energy: -93.368712
where:
bonds (distance) C4'-P energy: -34.028
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -22.621
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: 4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -567.930459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.930459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.930459 (E_RNA)
where:
Base-Base interactions energy: -383.065
where: short stacking energy: -161.143
Base-Backbone interact. energy: -0.013
local terms energy: -184.852467
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -38.206
flat angles C4'-P-C4' energy: -36.548
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -56.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -528.690355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.690355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.690355 (E_RNA)
where:
Base-Base interactions energy: -343.100
where: short stacking energy: -169.984
Base-Backbone interact. energy: 1.161
local terms energy: -186.751176
where:
bonds (distance) C4'-P energy: -30.767
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -42.497
flat angles P-C4'-P energy: -28.540
tors. eta vs tors. theta energy: -58.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -466.756790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.756790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.756790 (E_RNA)
where:
Base-Base interactions energy: -297.233
where: short stacking energy: -132.240
Base-Backbone interact. energy: -0.825
local terms energy: -168.697826
where:
bonds (distance) C4'-P energy: -34.970
bonds (distance) P-C4' energy: -33.574
flat angles C4'-P-C4' energy: -33.107
flat angles P-C4'-P energy: -23.536
tors. eta vs tors. theta energy: -43.510
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: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -391.875039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.875039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.875039 (E_RNA)
where:
Base-Base interactions energy: -236.678
where: short stacking energy: -112.592
Base-Backbone interact. energy: -2.059
local terms energy: -153.138771
where:
bonds (distance) C4'-P energy: -32.181
bonds (distance) P-C4' energy: -22.976
flat angles C4'-P-C4' energy: -37.941
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -36.805
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: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -393.555691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.555691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.555691 (E_RNA)
where:
Base-Base interactions energy: -243.023
where: short stacking energy: -95.171
Base-Backbone interact. energy: -0.581
local terms energy: -149.951076
where:
bonds (distance) C4'-P energy: -36.375
bonds (distance) P-C4' energy: -30.813
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -22.443
tors. eta vs tors. theta energy: -28.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -329.069895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.069895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.069895 (E_RNA)
where:
Base-Base interactions energy: -176.865
where: short stacking energy: -81.818
Base-Backbone interact. energy: -1.758
local terms energy: -150.446941
where:
bonds (distance) C4'-P energy: -26.794
bonds (distance) P-C4' energy: -30.778
flat angles C4'-P-C4' energy: -35.724
flat angles P-C4'-P energy: -29.637
tors. eta vs tors. theta energy: -27.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -261.436434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.436434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.436434 (E_RNA)
where:
Base-Base interactions energy: -140.949
where: short stacking energy: -65.222
Base-Backbone interact. energy: -0.326
local terms energy: -120.161299
where:
bonds (distance) C4'-P energy: -30.325
bonds (distance) P-C4' energy: -33.749
flat angles C4'-P-C4' energy: -31.997
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -163.926903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.926903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.926903 (E_RNA)
where:
Base-Base interactions energy: -64.623
where: short stacking energy: -47.505
Base-Backbone interact. energy: -0.481
local terms energy: -98.822546
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -32.538
flat angles C4'-P-C4' energy: -28.243
flat angles P-C4'-P energy: -13.768
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: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -161.752142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.752142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.752142 (E_RNA)
where:
Base-Base interactions energy: -52.599
where: short stacking energy: -31.098
Base-Backbone interact. energy: -0.772
local terms energy: -108.381096
where:
bonds (distance) C4'-P energy: -29.446
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -26.411
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -2.786
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: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -154.156765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.156765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.156765 (E_RNA)
where:
Base-Base interactions energy: -59.440
where: short stacking energy: -30.456
Base-Backbone interact. energy: -0.524
local terms energy: -94.192594
where:
bonds (distance) C4'-P energy: -37.138
bonds (distance) P-C4' energy: -32.251
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: 9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -565.778603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.778603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.778603 (E_RNA)
where:
Base-Base interactions energy: -369.825
where: short stacking energy: -151.229
Base-Backbone interact. energy: -0.126
local terms energy: -195.826903
where:
bonds (distance) C4'-P energy: -41.981
bonds (distance) P-C4' energy: -42.385
flat angles C4'-P-C4' energy: -44.731
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -47.758
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: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -511.582739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.582739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.582739 (E_RNA)
where:
Base-Base interactions energy: -337.922
where: short stacking energy: -163.119
Base-Backbone interact. energy: -0.602
local terms energy: -173.058725
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -36.005
flat angles P-C4'-P energy: -27.292
tors. eta vs tors. theta energy: -50.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -456.980732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.980732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.980732 (E_RNA)
where:
Base-Base interactions energy: -294.898
where: short stacking energy: -133.473
Base-Backbone interact. energy: 0.238
local terms energy: -162.320165
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -31.507
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -40.353
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: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -451.807291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.807291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.807291 (E_RNA)
where:
Base-Base interactions energy: -304.763
where: short stacking energy: -130.028
Base-Backbone interact. energy: 1.369
local terms energy: -148.413493
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -40.547
flat angles C4'-P-C4' energy: -32.582
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -35.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -440.579413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.579413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.579413 (E_RNA)
where:
Base-Base interactions energy: -267.415
where: short stacking energy: -129.195
Base-Backbone interact. energy: -0.407
local terms energy: -172.757366
where:
bonds (distance) C4'-P energy: -37.586
bonds (distance) P-C4' energy: -36.097
flat angles C4'-P-C4' energy: -35.833
flat angles P-C4'-P energy: -24.869
tors. eta vs tors. theta energy: -38.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -316.961266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.961266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.961266 (E_RNA)
where:
Base-Base interactions energy: -189.167
where: short stacking energy: -95.063
Base-Backbone interact. energy: -0.890
local terms energy: -126.904158
where:
bonds (distance) C4'-P energy: -29.996
bonds (distance) P-C4' energy: -32.124
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -218.252133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.252133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.252133 (E_RNA)
where:
Base-Base interactions energy: -93.025
where: short stacking energy: -60.473
Base-Backbone interact. energy: 1.164
local terms energy: -126.390844
where:
bonds (distance) C4'-P energy: -31.312
bonds (distance) P-C4' energy: -33.837
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: -5.920
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: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -184.380486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.380486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.380486 (E_RNA)
where:
Base-Base interactions energy: -72.435
where: short stacking energy: -54.708
Base-Backbone interact. energy: -0.262
local terms energy: -111.683122
where:
bonds (distance) C4'-P energy: -30.881
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -30.594
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -169.731906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.731906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.731906 (E_RNA)
where:
Base-Base interactions energy: -57.414
where: short stacking energy: -52.168
Base-Backbone interact. energy: -1.120
local terms energy: -111.197600
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -7.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -157.036783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.036783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.036783 (E_RNA)
where:
Base-Base interactions energy: -75.456
where: short stacking energy: -31.977
Base-Backbone interact. energy: 1.896
local terms energy: -83.477481
where:
bonds (distance) C4'-P energy: -28.871
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -24.034
flat angles P-C4'-P energy: -12.996
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: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -561.194881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.194881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.194881 (E_RNA)
where:
Base-Base interactions energy: -370.806
where: short stacking energy: -165.317
Base-Backbone interact. energy: -0.898
local terms energy: -189.491010
where:
bonds (distance) C4'-P energy: -38.375
bonds (distance) P-C4' energy: -35.297
flat angles C4'-P-C4' energy: -35.694
flat angles P-C4'-P energy: -28.766
tors. eta vs tors. theta energy: -51.360
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: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -507.905844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.905844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.905844 (E_RNA)
where:
Base-Base interactions energy: -325.574
where: short stacking energy: -157.526
Base-Backbone interact. energy: -0.114
local terms energy: -182.217452
where:
bonds (distance) C4'-P energy: -36.488
bonds (distance) P-C4' energy: -33.751
flat angles C4'-P-C4' energy: -34.026
flat angles P-C4'-P energy: -26.908
tors. eta vs tors. theta energy: -51.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -451.047644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.047644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.047644 (E_RNA)
where:
Base-Base interactions energy: -285.619
where: short stacking energy: -128.973
Base-Backbone interact. energy: 0.336
local terms energy: -165.765130
where:
bonds (distance) C4'-P energy: -33.661
bonds (distance) P-C4' energy: -36.595
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -19.752
tors. eta vs tors. theta energy: -38.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -470.060831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.060831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.060831 (E_RNA)
where:
Base-Base interactions energy: -321.137
where: short stacking energy: -121.991
Base-Backbone interact. energy: -0.291
local terms energy: -148.632615
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -36.463
flat angles C4'-P-C4' energy: -32.093
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -36.573
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: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -412.430263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.430263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.430263 (E_RNA)
where:
Base-Base interactions energy: -264.122
where: short stacking energy: -118.289
Base-Backbone interact. energy: -0.163
local terms energy: -148.145226
where:
bonds (distance) C4'-P energy: -27.157
bonds (distance) P-C4' energy: -30.308
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -25.019
tors. eta vs tors. theta energy: -36.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -322.159867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.159867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.159867 (E_RNA)
where:
Base-Base interactions energy: -187.532
where: short stacking energy: -98.471
Base-Backbone interact. energy: 0.299
local terms energy: -134.926927
where:
bonds (distance) C4'-P energy: -32.588
bonds (distance) P-C4' energy: -36.232
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -22.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -229.102559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.102559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.102559 (E_RNA)
where:
Base-Base interactions energy: -115.424
where: short stacking energy: -55.953
Base-Backbone interact. energy: 0.259
local terms energy: -113.938419
where:
bonds (distance) C4'-P energy: -32.386
bonds (distance) P-C4' energy: -37.658
flat angles C4'-P-C4' energy: -26.525
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: 0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -176.156612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.156612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.156612 (E_RNA)
where:
Base-Base interactions energy: -78.895
where: short stacking energy: -58.618
Base-Backbone interact. energy: 1.987
local terms energy: -99.248601
where:
bonds (distance) C4'-P energy: -37.449
bonds (distance) P-C4' energy: -32.421
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: 8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -157.488898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.488898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.488898 (E_RNA)
where:
Base-Base interactions energy: -56.999
where: short stacking energy: -49.332
Base-Backbone interact. energy: -0.427
local terms energy: -100.062777
where:
bonds (distance) C4'-P energy: -25.758
bonds (distance) P-C4' energy: -36.612
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -20.338
tors. eta vs tors. theta energy: 2.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -159.424227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.424227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.424227 (E_RNA)
where:
Base-Base interactions energy: -67.703
where: short stacking energy: -37.334
Base-Backbone interact. energy: 0.299
local terms energy: -92.019457
where:
bonds (distance) C4'-P energy: -28.721
bonds (distance) P-C4' energy: -28.205
flat angles C4'-P-C4' energy: -25.859
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: 7.413
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: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -564.553064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.553064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.553064 (E_RNA)
where:
Base-Base interactions energy: -371.435
where: short stacking energy: -163.580
Base-Backbone interact. energy: -0.297
local terms energy: -192.820722
where:
bonds (distance) C4'-P energy: -31.843
bonds (distance) P-C4' energy: -34.850
flat angles C4'-P-C4' energy: -39.793
flat angles P-C4'-P energy: -27.514
tors. eta vs tors. theta energy: -58.821
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: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -501.801533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.801533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.801533 (E_RNA)
where:
Base-Base interactions energy: -327.100
where: short stacking energy: -156.478
Base-Backbone interact. energy: -0.842
local terms energy: -173.859953
where:
bonds (distance) C4'-P energy: -31.115
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -42.711
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: -50.420
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: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -430.136764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.136764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.136764 (E_RNA)
where:
Base-Base interactions energy: -281.799
where: short stacking energy: -115.244
Base-Backbone interact. energy: 0.645
local terms energy: -148.982768
where:
bonds (distance) C4'-P energy: -36.252
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -19.067
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: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -429.469217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.469217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.469217 (E_RNA)
where:
Base-Base interactions energy: -267.019
where: short stacking energy: -117.068
Base-Backbone interact. energy: -0.816
local terms energy: -161.633503
where:
bonds (distance) C4'-P energy: -29.831
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -27.823
tors. eta vs tors. theta energy: -33.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -414.920441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.920441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.920441 (E_RNA)
where:
Base-Base interactions energy: -268.649
where: short stacking energy: -112.078
Base-Backbone interact. energy: -0.314
local terms energy: -145.957379
where:
bonds (distance) C4'-P energy: -31.217
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -41.716
flat angles P-C4'-P energy: -22.264
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: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -293.029323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.029323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.029323 (E_RNA)
where:
Base-Base interactions energy: -178.974
where: short stacking energy: -81.648
Base-Backbone interact. energy: -0.469
local terms energy: -113.586548
where:
bonds (distance) C4'-P energy: -31.786
bonds (distance) P-C4' energy: -30.849
flat angles C4'-P-C4' energy: -24.331
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -221.187236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.187236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.187236 (E_RNA)
where:
Base-Base interactions energy: -99.412
where: short stacking energy: -66.426
Base-Backbone interact. energy: -0.576
local terms energy: -121.198552
where:
bonds (distance) C4'-P energy: -31.870
bonds (distance) P-C4' energy: -30.563
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -192.117068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.117068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.117068 (E_RNA)
where:
Base-Base interactions energy: -75.052
where: short stacking energy: -67.290
Base-Backbone interact. energy: -0.372
local terms energy: -116.693671
where:
bonds (distance) C4'-P energy: -26.224
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -38.842
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: -7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -163.736316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.736316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.736316 (E_RNA)
where:
Base-Base interactions energy: -62.414
where: short stacking energy: -46.017
Base-Backbone interact. energy: -1.158
local terms energy: -100.163445
where:
bonds (distance) C4'-P energy: -28.214
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -28.909
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -162.060710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.060710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.060710 (E_RNA)
where:
Base-Base interactions energy: -66.874
where: short stacking energy: -49.886
Base-Backbone interact. energy: 1.703
local terms energy: -96.889822
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -34.257
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: 0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -573.378430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.378430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.378430 (E_RNA)
where:
Base-Base interactions energy: -376.643
where: short stacking energy: -172.616
Base-Backbone interact. energy: -0.201
local terms energy: -196.534957
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -41.398
flat angles P-C4'-P energy: -26.844
tors. eta vs tors. theta energy: -59.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -523.979231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.979231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.979231 (E_RNA)
where:
Base-Base interactions energy: -331.987
where: short stacking energy: -160.552
Base-Backbone interact. energy: -0.069
local terms energy: -191.923316
where:
bonds (distance) C4'-P energy: -34.413
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -39.658
flat angles P-C4'-P energy: -28.216
tors. eta vs tors. theta energy: -56.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -456.551967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.551967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.551967 (E_RNA)
where:
Base-Base interactions energy: -297.044
where: short stacking energy: -124.113
Base-Backbone interact. energy: -0.219
local terms energy: -159.289119
where:
bonds (distance) C4'-P energy: -32.532
bonds (distance) P-C4' energy: -36.781
flat angles C4'-P-C4' energy: -33.253
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -35.069
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: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -451.066134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.066134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.066134 (E_RNA)
where:
Base-Base interactions energy: -299.117
where: short stacking energy: -119.704
Base-Backbone interact. energy: -1.083
local terms energy: -150.866465
where:
bonds (distance) C4'-P energy: -34.372
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -26.283
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: -35.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -394.272283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.272283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.272283 (E_RNA)
where:
Base-Base interactions energy: -251.954
where: short stacking energy: -119.147
Base-Backbone interact. energy: -0.279
local terms energy: -142.038785
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -34.324
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -36.847
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: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -311.960886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.960886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.960886 (E_RNA)
where:
Base-Base interactions energy: -192.706
where: short stacking energy: -76.577
Base-Backbone interact. energy: -0.864
local terms energy: -118.391157
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -29.468
flat angles C4'-P-C4' energy: -33.234
flat angles P-C4'-P energy: -24.369
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -250.828748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.828748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.828748 (E_RNA)
where:
Base-Base interactions energy: -136.007
where: short stacking energy: -64.596
Base-Backbone interact. energy: -0.675
local terms energy: -114.146742
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -37.316
flat angles C4'-P-C4' energy: -27.494
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -8.031
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: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -168.494262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.494262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.494262 (E_RNA)
where:
Base-Base interactions energy: -77.414
where: short stacking energy: -42.825
Base-Backbone interact. energy: -0.700
local terms energy: -90.380668
where:
bonds (distance) C4'-P energy: -30.156
bonds (distance) P-C4' energy: -34.503
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: 0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -160.166078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.166078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.166078 (E_RNA)
where:
Base-Base interactions energy: -46.167
where: short stacking energy: -27.251
Base-Backbone interact. energy: -0.748
local terms energy: -113.251464
where:
bonds (distance) C4'-P energy: -36.926
bonds (distance) P-C4' energy: -38.377
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -148.993556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.993556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.993556 (E_RNA)
where:
Base-Base interactions energy: -63.753
where: short stacking energy: -38.964
Base-Backbone interact. energy: -0.883
local terms energy: -84.357728
where:
bonds (distance) C4'-P energy: -29.339
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -28.688
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: 9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -558.820327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.820327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.820327 (E_RNA)
where:
Base-Base interactions energy: -362.451
where: short stacking energy: -150.130
Base-Backbone interact. energy: -0.634
local terms energy: -195.735298
where:
bonds (distance) C4'-P energy: -38.031
bonds (distance) P-C4' energy: -34.275
flat angles C4'-P-C4' energy: -41.258
flat angles P-C4'-P energy: -30.170
tors. eta vs tors. theta energy: -52.001
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: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -519.157659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.157659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.157659 (E_RNA)
where:
Base-Base interactions energy: -328.499
where: short stacking energy: -159.424
Base-Backbone interact. energy: -0.385
local terms energy: -190.274481
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -38.565
flat angles C4'-P-C4' energy: -40.730
flat angles P-C4'-P energy: -25.798
tors. eta vs tors. theta energy: -54.311
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: 3, replica: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -463.226515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.226515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.226515 (E_RNA)
where:
Base-Base interactions energy: -302.047
where: short stacking energy: -121.120
Base-Backbone interact. energy: -1.152
local terms energy: -160.027072
where:
bonds (distance) C4'-P energy: -29.885
bonds (distance) P-C4' energy: -33.863
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -35.756
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: 190
Temperature: 1.050000
Total energy: -431.175938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.175938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.175938 (E_RNA)
where:
Base-Base interactions energy: -278.570
where: short stacking energy: -116.605
Base-Backbone interact. energy: -0.974
local terms energy: -151.632486
where:
bonds (distance) C4'-P energy: -33.573
bonds (distance) P-C4' energy: -28.485
flat angles C4'-P-C4' energy: -33.881
flat angles P-C4'-P energy: -22.304
tors. eta vs tors. theta energy: -33.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -357.955950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.955950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.955950 (E_RNA)
where:
Base-Base interactions energy: -223.069
where: short stacking energy: -90.214
Base-Backbone interact. energy: -2.563
local terms energy: -132.324483
where:
bonds (distance) C4'-P energy: -32.691
bonds (distance) P-C4' energy: -37.984
flat angles C4'-P-C4' energy: -25.857
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -380.032822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.032822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.032822 (E_RNA)
where:
Base-Base interactions energy: -247.782
where: short stacking energy: -124.046
Base-Backbone interact. energy: -0.439
local terms energy: -131.811856
where:
bonds (distance) C4'-P energy: -27.422
bonds (distance) P-C4' energy: -30.111
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -11.563
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: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -230.020920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.020920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.020920 (E_RNA)
where:
Base-Base interactions energy: -109.315
where: short stacking energy: -59.008
Base-Backbone interact. energy: -0.879
local terms energy: -119.827034
where:
bonds (distance) C4'-P energy: -35.125
bonds (distance) P-C4' energy: -27.979
flat angles C4'-P-C4' energy: -38.499
flat angles P-C4'-P energy: -19.351
tors. eta vs tors. theta energy: 1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -187.908258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.908258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.908258 (E_RNA)
where:
Base-Base interactions energy: -69.412
where: short stacking energy: -51.736
Base-Backbone interact. energy: -0.483
local terms energy: -118.013759
where:
bonds (distance) C4'-P energy: -28.828
bonds (distance) P-C4' energy: -32.804
flat angles C4'-P-C4' energy: -33.094
flat angles P-C4'-P energy: -15.837
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: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -155.462245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.462245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.462245 (E_RNA)
where:
Base-Base interactions energy: -52.047
where: short stacking energy: -38.110
Base-Backbone interact. energy: 0.696
local terms energy: -104.111152
where:
bonds (distance) C4'-P energy: -32.102
bonds (distance) P-C4' energy: -33.842
flat angles C4'-P-C4' energy: -25.568
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: 4.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -154.977058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.977058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.977058 (E_RNA)
where:
Base-Base interactions energy: -50.925
where: short stacking energy: -45.296
Base-Backbone interact. energy: 1.469
local terms energy: -105.521300
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -568.689688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.689688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.689688 (E_RNA)
where:
Base-Base interactions energy: -372.981
where: short stacking energy: -163.518
Base-Backbone interact. energy: -0.113
local terms energy: -195.594895
where:
bonds (distance) C4'-P energy: -38.541
bonds (distance) P-C4' energy: -38.382
flat angles C4'-P-C4' energy: -38.578
flat angles P-C4'-P energy: -26.246
tors. eta vs tors. theta energy: -53.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -503.338130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.338130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.338130 (E_RNA)
where:
Base-Base interactions energy: -320.648
where: short stacking energy: -159.738
Base-Backbone interact. energy: -0.237
local terms energy: -182.453115
where:
bonds (distance) C4'-P energy: -27.685
bonds (distance) P-C4' energy: -30.425
flat angles C4'-P-C4' energy: -38.334
flat angles P-C4'-P energy: -27.735
tors. eta vs tors. theta energy: -58.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -451.761269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.761269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.761269 (E_RNA)
where:
Base-Base interactions energy: -294.942
where: short stacking energy: -130.333
Base-Backbone interact. energy: -1.866
local terms energy: -154.953343
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -34.190
flat angles C4'-P-C4' energy: -34.381
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -38.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -449.006422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.006422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.006422 (E_RNA)
where:
Base-Base interactions energy: -289.820
where: short stacking energy: -122.225
Base-Backbone interact. energy: -1.138
local terms energy: -158.048330
where:
bonds (distance) C4'-P energy: -33.851
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -36.116
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -34.840
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: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -323.655293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.655293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.655293 (E_RNA)
where:
Base-Base interactions energy: -186.516
where: short stacking energy: -90.221
Base-Backbone interact. energy: -1.429
local terms energy: -135.710804
where:
bonds (distance) C4'-P energy: -35.150
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -368.020329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.020329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.020329 (E_RNA)
where:
Base-Base interactions energy: -230.236
where: short stacking energy: -99.140
Base-Backbone interact. energy: -0.415
local terms energy: -137.370007
where:
bonds (distance) C4'-P energy: -25.698
bonds (distance) P-C4' energy: -36.683
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -16.079
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: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -200.720258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.720258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.720258 (E_RNA)
where:
Base-Base interactions energy: -93.004
where: short stacking energy: -45.569
Base-Backbone interact. energy: -0.228
local terms energy: -107.488659
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -30.714
flat angles C4'-P-C4' energy: -24.851
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -158.881907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.881907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.881907 (E_RNA)
where:
Base-Base interactions energy: -57.350
where: short stacking energy: -49.059
Base-Backbone interact. energy: -0.462
local terms energy: -101.070299
where:
bonds (distance) C4'-P energy: -31.910
bonds (distance) P-C4' energy: -38.714
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: 0.639
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: 191
Temperature: 1.300000
Total energy: -172.640268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.640268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.640268 (E_RNA)
where:
Base-Base interactions energy: -68.955
where: short stacking energy: -55.745
Base-Backbone interact. energy: -0.573
local terms energy: -103.112594
where:
bonds (distance) C4'-P energy: -29.259
bonds (distance) P-C4' energy: -32.920
flat angles C4'-P-C4' energy: -26.644
flat angles P-C4'-P energy: -20.570
tors. eta vs tors. theta energy: 6.280
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: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -157.641126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.641126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.641126 (E_RNA)
where:
Base-Base interactions energy: -44.504
where: short stacking energy: -33.037
Base-Backbone interact. energy: 4.510
local terms energy: -117.647195
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -39.071
flat angles C4'-P-C4' energy: -31.486
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -563.498951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.498951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.498951 (E_RNA)
where:
Base-Base interactions energy: -367.549
where: short stacking energy: -160.883
Base-Backbone interact. energy: 0.169
local terms energy: -196.118740
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -36.152
flat angles P-C4'-P energy: -31.264
tors. eta vs tors. theta energy: -49.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -530.336095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.336095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.336095 (E_RNA)
where:
Base-Base interactions energy: -342.013
where: short stacking energy: -153.387
Base-Backbone interact. energy: -0.210
local terms energy: -188.112709
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -37.485
flat angles P-C4'-P energy: -27.318
tors. eta vs tors. theta energy: -55.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -437.979657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.979657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.979657 (E_RNA)
where:
Base-Base interactions energy: -288.198
where: short stacking energy: -124.943
Base-Backbone interact. energy: -0.746
local terms energy: -149.035414
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -35.691
flat angles P-C4'-P energy: -17.952
tors. eta vs tors. theta energy: -35.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -433.013757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.013757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.013757 (E_RNA)
where:
Base-Base interactions energy: -286.667
where: short stacking energy: -99.395
Base-Backbone interact. energy: -1.714
local terms energy: -144.632757
where:
bonds (distance) C4'-P energy: -33.150
bonds (distance) P-C4' energy: -36.577
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -12.494
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: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -397.955172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.955172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.955172 (E_RNA)
where:
Base-Base interactions energy: -242.271
where: short stacking energy: -109.007
Base-Backbone interact. energy: -0.134
local terms energy: -155.549436
where:
bonds (distance) C4'-P energy: -34.984
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -26.925
tors. eta vs tors. theta energy: -35.014
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: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -342.497327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.497327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.497327 (E_RNA)
where:
Base-Base interactions energy: -214.627
where: short stacking energy: -88.094
Base-Backbone interact. energy: 0.455
local terms energy: -128.324374
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -37.283
flat angles C4'-P-C4' energy: -31.122
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -182.608871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.608871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.608871 (E_RNA)
where:
Base-Base interactions energy: -63.326
where: short stacking energy: -49.737
Base-Backbone interact. energy: -1.710
local terms energy: -117.573235
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -33.187
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -24.738
tors. eta vs tors. theta energy: -9.671
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: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -176.840051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.840051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.840051 (E_RNA)
where:
Base-Base interactions energy: -83.865
where: short stacking energy: -38.812
Base-Backbone interact. energy: -1.594
local terms energy: -91.381423
where:
bonds (distance) C4'-P energy: -30.672
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: 3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -154.294654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.294654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.294654 (E_RNA)
where:
Base-Base interactions energy: -68.660
where: short stacking energy: -52.292
Base-Backbone interact. energy: -1.202
local terms energy: -84.432538
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -33.406
flat angles C4'-P-C4' energy: -24.615
flat angles P-C4'-P energy: -8.610
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: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -171.694778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.694778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.694778 (E_RNA)
where:
Base-Base interactions energy: -53.538
where: short stacking energy: -40.370
Base-Backbone interact. energy: -1.041
local terms energy: -117.116092
where:
bonds (distance) C4'-P energy: -36.562
bonds (distance) P-C4' energy: -29.178
flat angles C4'-P-C4' energy: -32.103
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -5.907
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: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -570.101869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.101869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.101869 (E_RNA)
where:
Base-Base interactions energy: -378.398
where: short stacking energy: -162.889
Base-Backbone interact. energy: -0.179
local terms energy: -191.524839
where:
bonds (distance) C4'-P energy: -36.471
bonds (distance) P-C4' energy: -33.621
flat angles C4'-P-C4' energy: -35.643
flat angles P-C4'-P energy: -30.107
tors. eta vs tors. theta energy: -55.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -510.070172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.070172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.070172 (E_RNA)
where:
Base-Base interactions energy: -319.134
where: short stacking energy: -143.705
Base-Backbone interact. energy: -0.573
local terms energy: -190.362436
where:
bonds (distance) C4'-P energy: -35.649
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -44.568
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -55.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -468.311515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.311515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.311515 (E_RNA)
where:
Base-Base interactions energy: -306.157
where: short stacking energy: -122.654
Base-Backbone interact. energy: -1.046
local terms energy: -161.108665
where:
bonds (distance) C4'-P energy: -36.852
bonds (distance) P-C4' energy: -28.697
flat angles C4'-P-C4' energy: -37.132
flat angles P-C4'-P energy: -19.652
tors. eta vs tors. theta energy: -38.775
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: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -469.411402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.411402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.411402 (E_RNA)
where:
Base-Base interactions energy: -314.983
where: short stacking energy: -140.792
Base-Backbone interact. energy: -0.880
local terms energy: -153.548524
where:
bonds (distance) C4'-P energy: -32.626
bonds (distance) P-C4' energy: -23.636
flat angles C4'-P-C4' energy: -29.632
flat angles P-C4'-P energy: -26.281
tors. eta vs tors. theta energy: -41.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -377.276346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.276346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.276346 (E_RNA)
where:
Base-Base interactions energy: -233.438
where: short stacking energy: -103.207
Base-Backbone interact. energy: -1.317
local terms energy: -142.521957
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -17.564
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: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -344.244270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.244270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.244270 (E_RNA)
where:
Base-Base interactions energy: -213.367
where: short stacking energy: -107.297
Base-Backbone interact. energy: 2.430
local terms energy: -133.306941
where:
bonds (distance) C4'-P energy: -27.682
bonds (distance) P-C4' energy: -26.228
flat angles C4'-P-C4' energy: -31.109
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -26.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -159.759328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.759328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.759328 (E_RNA)
where:
Base-Base interactions energy: -51.771
where: short stacking energy: -46.332
Base-Backbone interact. energy: 0.056
local terms energy: -108.044146
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -36.379
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: 6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -174.602241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.602241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.602241 (E_RNA)
where:
Base-Base interactions energy: -60.114
where: short stacking energy: -46.727
Base-Backbone interact. energy: -0.409
local terms energy: -114.079915
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -39.079
flat angles C4'-P-C4' energy: -30.834
flat angles P-C4'-P energy: -16.532
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: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -162.093369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.093369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.093369 (E_RNA)
where:
Base-Base interactions energy: -47.966
where: short stacking energy: -40.724
Base-Backbone interact. energy: 0.272
local terms energy: -114.399013
where:
bonds (distance) C4'-P energy: -28.807
bonds (distance) P-C4' energy: -30.938
flat angles C4'-P-C4' energy: -29.972
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -142.132314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.132314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.132314 (E_RNA)
where:
Base-Base interactions energy: -55.364
where: short stacking energy: -43.723
Base-Backbone interact. energy: -0.468
local terms energy: -86.300037
where:
bonds (distance) C4'-P energy: -25.491
bonds (distance) P-C4' energy: -28.403
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: 2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -578.611170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.611170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.611170 (E_RNA)
where:
Base-Base interactions energy: -399.547
where: short stacking energy: -169.735
Base-Backbone interact. energy: -0.662
local terms energy: -178.402202
where:
bonds (distance) C4'-P energy: -28.086
bonds (distance) P-C4' energy: -32.362
flat angles C4'-P-C4' energy: -38.323
flat angles P-C4'-P energy: -26.204
tors. eta vs tors. theta energy: -53.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -530.461685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.461685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.461685 (E_RNA)
where:
Base-Base interactions energy: -339.089
where: short stacking energy: -160.296
Base-Backbone interact. energy: 0.107
local terms energy: -191.479064
where:
bonds (distance) C4'-P energy: -37.184
bonds (distance) P-C4' energy: -39.698
flat angles C4'-P-C4' energy: -38.408
flat angles P-C4'-P energy: -19.920
tors. eta vs tors. theta energy: -56.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -472.733295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.733295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.733295 (E_RNA)
where:
Base-Base interactions energy: -309.947
where: short stacking energy: -117.775
Base-Backbone interact. energy: -0.210
local terms energy: -162.577190
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -33.036
flat angles C4'-P-C4' energy: -36.622
flat angles P-C4'-P energy: -27.078
tors. eta vs tors. theta energy: -31.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -462.458855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.458855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.458855 (E_RNA)
where:
Base-Base interactions energy: -316.582
where: short stacking energy: -147.850
Base-Backbone interact. energy: -0.650
local terms energy: -145.226938
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -28.639
flat angles C4'-P-C4' energy: -37.579
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -37.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -348.554899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.554899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.554899 (E_RNA)
where:
Base-Base interactions energy: -216.683
where: short stacking energy: -97.170
Base-Backbone interact. energy: -0.907
local terms energy: -130.965180
where:
bonds (distance) C4'-P energy: -27.587
bonds (distance) P-C4' energy: -36.153
flat angles C4'-P-C4' energy: -34.008
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -23.573
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: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -315.216121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.216121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.216121 (E_RNA)
where:
Base-Base interactions energy: -184.767
where: short stacking energy: -72.161
Base-Backbone interact. energy: -0.241
local terms energy: -130.208443
where:
bonds (distance) C4'-P energy: -25.286
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -182.880255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.880255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.880255 (E_RNA)
where:
Base-Base interactions energy: -62.006
where: short stacking energy: -53.689
Base-Backbone interact. energy: -0.262
local terms energy: -120.612696
where:
bonds (distance) C4'-P energy: -29.748
bonds (distance) P-C4' energy: -39.721
flat angles C4'-P-C4' energy: -26.617
flat angles P-C4'-P energy: -21.526
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -165.725196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.725196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.725196 (E_RNA)
where:
Base-Base interactions energy: -50.871
where: short stacking energy: -41.020
Base-Backbone interact. energy: 2.557
local terms energy: -117.410994
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -36.869
flat angles C4'-P-C4' energy: -30.743
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: 0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -161.159249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.159249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.159249 (E_RNA)
where:
Base-Base interactions energy: -67.105
where: short stacking energy: -41.990
Base-Backbone interact. energy: 2.489
local terms energy: -96.543258
where:
bonds (distance) C4'-P energy: -31.463
bonds (distance) P-C4' energy: -34.316
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: 0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -131.857545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.857545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.857545 (E_RNA)
where:
Base-Base interactions energy: -51.426
where: short stacking energy: -27.772
Base-Backbone interact. energy: 2.720
local terms energy: -83.151372
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: 16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -593.728360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.728360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.728360 (E_RNA)
where:
Base-Base interactions energy: -404.825
where: short stacking energy: -167.783
Base-Backbone interact. energy: -0.496
local terms energy: -188.407576
where:
bonds (distance) C4'-P energy: -39.415
bonds (distance) P-C4' energy: -33.595
flat angles C4'-P-C4' energy: -33.899
flat angles P-C4'-P energy: -27.555
tors. eta vs tors. theta energy: -53.944
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: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -520.600939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.600939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.600939 (E_RNA)
where:
Base-Base interactions energy: -328.834
where: short stacking energy: -153.465
Base-Backbone interact. energy: -0.527
local terms energy: -191.240041
where:
bonds (distance) C4'-P energy: -29.824
bonds (distance) P-C4' energy: -37.279
flat angles C4'-P-C4' energy: -42.255
flat angles P-C4'-P energy: -25.422
tors. eta vs tors. theta energy: -56.459
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: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -450.082322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.082322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.082322 (E_RNA)
where:
Base-Base interactions energy: -288.768
where: short stacking energy: -127.675
Base-Backbone interact. energy: -1.066
local terms energy: -160.248355
where:
bonds (distance) C4'-P energy: -28.353
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -32.821
flat angles P-C4'-P energy: -25.812
tors. eta vs tors. theta energy: -42.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -458.942893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.942893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.942893 (E_RNA)
where:
Base-Base interactions energy: -305.336
where: short stacking energy: -118.848
Base-Backbone interact. energy: -0.564
local terms energy: -153.043587
where:
bonds (distance) C4'-P energy: -32.296
bonds (distance) P-C4' energy: -40.449
flat angles C4'-P-C4' energy: -27.158
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -33.551
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: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -293.179988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.179988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.179988 (E_RNA)
where:
Base-Base interactions energy: -160.091
where: short stacking energy: -70.072
Base-Backbone interact. energy: 1.160
local terms energy: -134.249544
where:
bonds (distance) C4'-P energy: -33.970
bonds (distance) P-C4' energy: -37.833
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -11.353
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: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -320.480256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.480256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.480256 (E_RNA)
where:
Base-Base interactions energy: -194.643
where: short stacking energy: -93.991
Base-Backbone interact. energy: -0.609
local terms energy: -125.227984
where:
bonds (distance) C4'-P energy: -34.395
bonds (distance) P-C4' energy: -25.146
flat angles C4'-P-C4' energy: -26.824
flat angles P-C4'-P energy: -24.892
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -196.988970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.988970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.988970 (E_RNA)
where:
Base-Base interactions energy: -90.412
where: short stacking energy: -55.777
Base-Backbone interact. energy: -1.388
local terms energy: -105.189759
where:
bonds (distance) C4'-P energy: -32.328
bonds (distance) P-C4' energy: -29.784
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -176.135251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.135251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.135251 (E_RNA)
where:
Base-Base interactions energy: -76.853
where: short stacking energy: -61.545
Base-Backbone interact. energy: 3.448
local terms energy: -102.730438
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -33.383
flat angles C4'-P-C4' energy: -32.090
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -155.517535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.517535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.517535 (E_RNA)
where:
Base-Base interactions energy: -44.810
where: short stacking energy: -33.472
Base-Backbone interact. energy: 1.602
local terms energy: -112.309720
where:
bonds (distance) C4'-P energy: -34.132
bonds (distance) P-C4' energy: -34.001
flat angles C4'-P-C4' energy: -29.318
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: 2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -149.911100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.911100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.911100 (E_RNA)
where:
Base-Base interactions energy: -51.010
where: short stacking energy: -43.827
Base-Backbone interact. energy: -2.619
local terms energy: -96.281899
where:
bonds (distance) C4'-P energy: -34.910
bonds (distance) P-C4' energy: -28.005
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -577.189156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.189156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.189156 (E_RNA)
where:
Base-Base interactions energy: -382.779
where: short stacking energy: -157.643
Base-Backbone interact. energy: -0.182
local terms energy: -194.228577
where:
bonds (distance) C4'-P energy: -39.005
bonds (distance) P-C4' energy: -36.505
flat angles C4'-P-C4' energy: -37.146
flat angles P-C4'-P energy: -28.861
tors. eta vs tors. theta energy: -52.712
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: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -506.314068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.314068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.314068 (E_RNA)
where:
Base-Base interactions energy: -323.795
where: short stacking energy: -156.185
Base-Backbone interact. energy: -0.041
local terms energy: -182.478277
where:
bonds (distance) C4'-P energy: -39.654
bonds (distance) P-C4' energy: -41.158
flat angles C4'-P-C4' energy: -34.459
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -50.346
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: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -497.776054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.776054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.776054 (E_RNA)
where:
Base-Base interactions energy: -325.355
where: short stacking energy: -124.060
Base-Backbone interact. energy: -3.554
local terms energy: -168.866862
where:
bonds (distance) C4'-P energy: -31.590
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -39.944
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -46.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -436.562924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.562924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.562924 (E_RNA)
where:
Base-Base interactions energy: -279.206
where: short stacking energy: -129.997
Base-Backbone interact. energy: -0.655
local terms energy: -156.702220
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -33.499
flat angles C4'-P-C4' energy: -35.299
flat angles P-C4'-P energy: -23.568
tors. eta vs tors. theta energy: -35.675
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: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -309.130663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.130663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.130663 (E_RNA)
where:
Base-Base interactions energy: -162.737
where: short stacking energy: -77.021
Base-Backbone interact. energy: -1.637
local terms energy: -144.757003
where:
bonds (distance) C4'-P energy: -38.047
bonds (distance) P-C4' energy: -31.100
flat angles C4'-P-C4' energy: -29.622
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -21.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -311.190047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.190047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.190047 (E_RNA)
where:
Base-Base interactions energy: -163.444
where: short stacking energy: -74.983
Base-Backbone interact. energy: -0.900
local terms energy: -146.846492
where:
bonds (distance) C4'-P energy: -37.052
bonds (distance) P-C4' energy: -36.080
flat angles C4'-P-C4' energy: -27.207
flat angles P-C4'-P energy: -27.569
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -235.788716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.788716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.788716 (E_RNA)
where:
Base-Base interactions energy: -117.329
where: short stacking energy: -56.130
Base-Backbone interact. energy: -0.388
local terms energy: -118.070909
where:
bonds (distance) C4'-P energy: -32.463
bonds (distance) P-C4' energy: -32.089
flat angles C4'-P-C4' energy: -31.890
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -168.163868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.163868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.163868 (E_RNA)
where:
Base-Base interactions energy: -77.797
where: short stacking energy: -45.363
Base-Backbone interact. energy: -0.448
local terms energy: -89.919411
where:
bonds (distance) C4'-P energy: -25.386
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -22.465
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: 3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -162.774591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.774591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.774591 (E_RNA)
where:
Base-Base interactions energy: -45.663
where: short stacking energy: -42.593
Base-Backbone interact. energy: 0.177
local terms energy: -117.288596
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -40.580
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -147.098881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.098881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.098881 (E_RNA)
where:
Base-Base interactions energy: -53.106
where: short stacking energy: -26.781
Base-Backbone interact. energy: -0.638
local terms energy: -93.354683
where:
bonds (distance) C4'-P energy: -25.876
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -32.662
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: 10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -574.924336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.924336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.924336 (E_RNA)
where:
Base-Base interactions energy: -390.569
where: short stacking energy: -161.865
Base-Backbone interact. energy: -0.031
local terms energy: -184.324192
where:
bonds (distance) C4'-P energy: -30.317
bonds (distance) P-C4' energy: -39.451
flat angles C4'-P-C4' energy: -36.662
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -56.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -502.998922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.998922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.998922 (E_RNA)
where:
Base-Base interactions energy: -323.179
where: short stacking energy: -153.714
Base-Backbone interact. energy: -0.098
local terms energy: -179.721425
where:
bonds (distance) C4'-P energy: -34.401
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -34.924
flat angles P-C4'-P energy: -22.721
tors. eta vs tors. theta energy: -48.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -499.210345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.210345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.210345 (E_RNA)
where:
Base-Base interactions energy: -343.383
where: short stacking energy: -132.982
Base-Backbone interact. energy: 0.324
local terms energy: -156.150683
where:
bonds (distance) C4'-P energy: -34.103
bonds (distance) P-C4' energy: -28.586
flat angles C4'-P-C4' energy: -35.687
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -40.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -419.355827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.355827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.355827 (E_RNA)
where:
Base-Base interactions energy: -270.076
where: short stacking energy: -122.280
Base-Backbone interact. energy: -0.435
local terms energy: -148.845216
where:
bonds (distance) C4'-P energy: -32.082
bonds (distance) P-C4' energy: -34.856
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: -35.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -357.732760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.732760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.732760 (E_RNA)
where:
Base-Base interactions energy: -226.037
where: short stacking energy: -86.827
Base-Backbone interact. energy: -0.923
local terms energy: -130.772443
where:
bonds (distance) C4'-P energy: -30.582
bonds (distance) P-C4' energy: -34.728
flat angles C4'-P-C4' energy: -25.720
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -22.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -313.616966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.616966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.616966 (E_RNA)
where:
Base-Base interactions energy: -178.834
where: short stacking energy: -80.208
Base-Backbone interact. energy: 0.756
local terms energy: -135.538695
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -37.473
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -24.673
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -209.604709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.604709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.604709 (E_RNA)
where:
Base-Base interactions energy: -79.678
where: short stacking energy: -63.429
Base-Backbone interact. energy: 1.227
local terms energy: -131.153896
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -36.047
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -11.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -186.855765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.855765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.855765 (E_RNA)
where:
Base-Base interactions energy: -70.116
where: short stacking energy: -43.950
Base-Backbone interact. energy: -1.435
local terms energy: -115.304432
where:
bonds (distance) C4'-P energy: -26.553
bonds (distance) P-C4' energy: -35.938
flat angles C4'-P-C4' energy: -34.835
flat angles P-C4'-P energy: -19.608
tors. eta vs tors. theta energy: 1.630
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: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -162.679069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.679069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.679069 (E_RNA)
where:
Base-Base interactions energy: -56.820
where: short stacking energy: -52.637
Base-Backbone interact. energy: -0.164
local terms energy: -105.694525
where:
bonds (distance) C4'-P energy: -28.485
bonds (distance) P-C4' energy: -31.179
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -143.577888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.577888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.577888 (E_RNA)
where:
Base-Base interactions energy: -50.706
where: short stacking energy: -46.210
Base-Backbone interact. energy: -0.906
local terms energy: -91.966095
where:
bonds (distance) C4'-P energy: -35.266
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: 1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -576.970590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.970590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.970590 (E_RNA)
where:
Base-Base interactions energy: -388.107
where: short stacking energy: -165.386
Base-Backbone interact. energy: -0.043
local terms energy: -188.820259
where:
bonds (distance) C4'-P energy: -36.278
bonds (distance) P-C4' energy: -35.240
flat angles C4'-P-C4' energy: -36.094
flat angles P-C4'-P energy: -27.261
tors. eta vs tors. theta energy: -53.948
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: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -519.237968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.237968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.237968 (E_RNA)
where:
Base-Base interactions energy: -325.335
where: short stacking energy: -146.044
Base-Backbone interact. energy: -0.238
local terms energy: -193.664418
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -32.755
flat angles C4'-P-C4' energy: -41.748
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -53.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -499.317270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.317270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.317270 (E_RNA)
where:
Base-Base interactions energy: -353.068
where: short stacking energy: -139.992
Base-Backbone interact. energy: -0.269
local terms energy: -145.979900
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -36.201
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -42.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -430.470235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.470235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.470235 (E_RNA)
where:
Base-Base interactions energy: -268.056
where: short stacking energy: -117.902
Base-Backbone interact. energy: -1.057
local terms energy: -161.356747
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -32.301
flat angles C4'-P-C4' energy: -37.946
flat angles P-C4'-P energy: -21.760
tors. eta vs tors. theta energy: -35.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -362.521839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.521839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.521839 (E_RNA)
where:
Base-Base interactions energy: -226.204
where: short stacking energy: -104.419
Base-Backbone interact. energy: -1.476
local terms energy: -134.841941
where:
bonds (distance) C4'-P energy: -26.362
bonds (distance) P-C4' energy: -33.770
flat angles C4'-P-C4' energy: -36.138
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -335.491154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.491154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.491154 (E_RNA)
where:
Base-Base interactions energy: -209.760
where: short stacking energy: -94.907
Base-Backbone interact. energy: 3.107
local terms energy: -128.837958
where:
bonds (distance) C4'-P energy: -28.016
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -32.736
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -199.953499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.953499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.953499 (E_RNA)
where:
Base-Base interactions energy: -69.642
where: short stacking energy: -51.659
Base-Backbone interact. energy: -0.515
local terms energy: -129.796879
where:
bonds (distance) C4'-P energy: -30.066
bonds (distance) P-C4' energy: -37.283
flat angles C4'-P-C4' energy: -38.260
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -191.613952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.613952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.613952 (E_RNA)
where:
Base-Base interactions energy: -95.001
where: short stacking energy: -55.795
Base-Backbone interact. energy: -0.818
local terms energy: -95.795873
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -31.648
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: 5.155
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: 198
Temperature: 1.300000
Total energy: -192.555055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.555055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.555055 (E_RNA)
where:
Base-Base interactions energy: -71.207
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.727
local terms energy: -120.621416
where:
bonds (distance) C4'-P energy: -40.718
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -32.746
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -196.717976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.717976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.717976 (E_RNA)
where:
Base-Base interactions energy: -86.833
where: short stacking energy: -37.371
Base-Backbone interact. energy: -0.669
local terms energy: -109.216635
where:
bonds (distance) C4'-P energy: -32.139
bonds (distance) P-C4' energy: -31.298
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -583.119121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.119121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.119121 (E_RNA)
where:
Base-Base interactions energy: -400.535
where: short stacking energy: -167.543
Base-Backbone interact. energy: -0.160
local terms energy: -182.424105
where:
bonds (distance) C4'-P energy: -38.386
bonds (distance) P-C4' energy: -31.234
flat angles C4'-P-C4' energy: -33.630
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: -52.198
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: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -511.768927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.768927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.768927 (E_RNA)
where:
Base-Base interactions energy: -344.855
where: short stacking energy: -127.705
Base-Backbone interact. energy: -1.329
local terms energy: -165.585310
where:
bonds (distance) C4'-P energy: -32.960
bonds (distance) P-C4' energy: -25.496
flat angles C4'-P-C4' energy: -40.603
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -40.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -514.411830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.411830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.411830 (E_RNA)
where:
Base-Base interactions energy: -329.714
where: short stacking energy: -160.209
Base-Backbone interact. energy: -0.271
local terms energy: -184.426504
where:
bonds (distance) C4'-P energy: -38.080
bonds (distance) P-C4' energy: -38.413
flat angles C4'-P-C4' energy: -34.541
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -52.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -400.416129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.416129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.416129 (E_RNA)
where:
Base-Base interactions energy: -241.330
where: short stacking energy: -109.735
Base-Backbone interact. energy: -0.220
local terms energy: -158.865520
where:
bonds (distance) C4'-P energy: -32.838
bonds (distance) P-C4' energy: -37.562
flat angles C4'-P-C4' energy: -32.512
flat angles P-C4'-P energy: -22.451
tors. eta vs tors. theta energy: -33.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -361.270389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.270389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.270389 (E_RNA)
where:
Base-Base interactions energy: -224.126
where: short stacking energy: -97.932
Base-Backbone interact. energy: 0.462
local terms energy: -137.606378
where:
bonds (distance) C4'-P energy: -34.837
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -31.251
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -25.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -321.189551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.189551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.189551 (E_RNA)
where:
Base-Base interactions energy: -188.091
where: short stacking energy: -88.769
Base-Backbone interact. energy: -0.845
local terms energy: -132.254063
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -32.531
flat angles C4'-P-C4' energy: -35.147
flat angles P-C4'-P energy: -16.672
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: 7, replica: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -213.354454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.354454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.354454 (E_RNA)
where:
Base-Base interactions energy: -84.151
where: short stacking energy: -72.516
Base-Backbone interact. energy: 1.344
local terms energy: -130.547363
where:
bonds (distance) C4'-P energy: -33.425
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -32.397
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -11.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -181.653997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.653997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.653997 (E_RNA)
where:
Base-Base interactions energy: -88.018
where: short stacking energy: -46.717
Base-Backbone interact. energy: -0.548
local terms energy: -93.088229
where:
bonds (distance) C4'-P energy: -31.238
bonds (distance) P-C4' energy: -35.347
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -12.632
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: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -166.172423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.172423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.172423 (E_RNA)
where:
Base-Base interactions energy: -78.305
where: short stacking energy: -47.965
Base-Backbone interact. energy: -0.924
local terms energy: -86.943888
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -30.177
flat angles C4'-P-C4' energy: -27.761
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: 9.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -171.476972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.476972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.476972 (E_RNA)
where:
Base-Base interactions energy: -63.357
where: short stacking energy: -45.151
Base-Backbone interact. energy: -0.319
local terms energy: -107.801002
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -32.377
flat angles C4'-P-C4' energy: -26.644
flat angles P-C4'-P energy: -16.644
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: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -550.069137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.069137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.069137 (E_RNA)
where:
Base-Base interactions energy: -362.290
where: short stacking energy: -169.749
Base-Backbone interact. energy: -0.638
local terms energy: -187.141757
where:
bonds (distance) C4'-P energy: -33.532
bonds (distance) P-C4' energy: -36.866
flat angles C4'-P-C4' energy: -37.560
flat angles P-C4'-P energy: -26.908
tors. eta vs tors. theta energy: -52.276
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: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -501.453483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.453483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.453483 (E_RNA)
where:
Base-Base interactions energy: -331.555
where: short stacking energy: -148.498
Base-Backbone interact. energy: -1.118
local terms energy: -168.781016
where:
bonds (distance) C4'-P energy: -34.185
bonds (distance) P-C4' energy: -31.217
flat angles C4'-P-C4' energy: -29.868
flat angles P-C4'-P energy: -28.064
tors. eta vs tors. theta energy: -45.446
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: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -510.268895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.268895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.268895 (E_RNA)
where:
Base-Base interactions energy: -333.369
where: short stacking energy: -161.448
Base-Backbone interact. energy: -0.110
local terms energy: -176.789865
where:
bonds (distance) C4'-P energy: -33.231
bonds (distance) P-C4' energy: -29.402
flat angles C4'-P-C4' energy: -39.698
flat angles P-C4'-P energy: -20.246
tors. eta vs tors. theta energy: -54.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -414.480971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.480971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.480971 (E_RNA)
where:
Base-Base interactions energy: -247.407
where: short stacking energy: -124.861
Base-Backbone interact. energy: 1.360
local terms energy: -168.434252
where:
bonds (distance) C4'-P energy: -38.092
bonds (distance) P-C4' energy: -31.613
flat angles C4'-P-C4' energy: -36.381
flat angles P-C4'-P energy: -24.614
tors. eta vs tors. theta energy: -37.734
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: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -368.722073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.722073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.722073 (E_RNA)
where:
Base-Base interactions energy: -215.849
where: short stacking energy: -94.591
Base-Backbone interact. energy: -0.330
local terms energy: -152.543317
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -33.130
flat angles C4'-P-C4' energy: -36.644
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -30.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -315.364341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.364341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.364341 (E_RNA)
where:
Base-Base interactions energy: -182.900
where: short stacking energy: -91.161
Base-Backbone interact. energy: -1.940
local terms energy: -130.524129
where:
bonds (distance) C4'-P energy: -26.543
bonds (distance) P-C4' energy: -31.034
flat angles C4'-P-C4' energy: -31.595
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -176.988856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.988856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.988856 (E_RNA)
where:
Base-Base interactions energy: -57.818
where: short stacking energy: -50.393
Base-Backbone interact. energy: 0.886
local terms energy: -120.057065
where:
bonds (distance) C4'-P energy: -30.038
bonds (distance) P-C4' energy: -30.989
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -178.462019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.462019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.462019 (E_RNA)
where:
Base-Base interactions energy: -60.921
where: short stacking energy: -37.371
Base-Backbone interact. energy: -0.681
local terms energy: -116.860748
where:
bonds (distance) C4'-P energy: -32.620
bonds (distance) P-C4' energy: -38.455
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -21.593
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: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -151.927564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.927564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.927564 (E_RNA)
where:
Base-Base interactions energy: -49.469
where: short stacking energy: -40.430
Base-Backbone interact. energy: 0.215
local terms energy: -102.673278
where:
bonds (distance) C4'-P energy: -31.342
bonds (distance) P-C4' energy: -36.798
flat angles C4'-P-C4' energy: -27.627
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: 3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -148.886556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.886556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.886556 (E_RNA)
where:
Base-Base interactions energy: -43.902
where: short stacking energy: -42.133
Base-Backbone interact. energy: -0.376
local terms energy: -104.608509
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -42.969
flat angles C4'-P-C4' energy: -29.591
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: 2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -550.622380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.622380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.622380 (E_RNA)
where:
Base-Base interactions energy: -367.324
where: short stacking energy: -163.223
Base-Backbone interact. energy: -0.690
local terms energy: -182.608154
where:
bonds (distance) C4'-P energy: -34.255
bonds (distance) P-C4' energy: -38.870
flat angles C4'-P-C4' energy: -37.610
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -50.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -508.076871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.076871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.076871 (E_RNA)
where:
Base-Base interactions energy: -322.773
where: short stacking energy: -152.231
Base-Backbone interact. energy: -0.235
local terms energy: -185.068895
where:
bonds (distance) C4'-P energy: -34.571
bonds (distance) P-C4' energy: -34.701
flat angles C4'-P-C4' energy: -38.471
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -53.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -491.679384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.679384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.679384 (E_RNA)
where:
Base-Base interactions energy: -326.746
where: short stacking energy: -149.235
Base-Backbone interact. energy: -1.347
local terms energy: -163.586314
where:
bonds (distance) C4'-P energy: -34.045
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -34.935
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -42.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -410.264908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.264908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.264908 (E_RNA)
where:
Base-Base interactions energy: -249.495
where: short stacking energy: -118.097
Base-Backbone interact. energy: -0.678
local terms energy: -160.091940
where:
bonds (distance) C4'-P energy: -31.614
bonds (distance) P-C4' energy: -32.297
flat angles C4'-P-C4' energy: -36.031
flat angles P-C4'-P energy: -24.002
tors. eta vs tors. theta energy: -36.148
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: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -419.718868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.718868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.718868 (E_RNA)
where:
Base-Base interactions energy: -267.961
where: short stacking energy: -117.135
Base-Backbone interact. energy: 2.152
local terms energy: -153.910155
where:
bonds (distance) C4'-P energy: -30.339
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -38.546
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -40.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -302.375491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.375491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.375491 (E_RNA)
where:
Base-Base interactions energy: -183.269
where: short stacking energy: -77.614
Base-Backbone interact. energy: 0.438
local terms energy: -119.544883
where:
bonds (distance) C4'-P energy: -32.470
bonds (distance) P-C4' energy: -32.661
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -193.259137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.259137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.259137 (E_RNA)
where:
Base-Base interactions energy: -76.146
where: short stacking energy: -51.241
Base-Backbone interact. energy: -0.348
local terms energy: -116.765235
where:
bonds (distance) C4'-P energy: -33.389
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -33.627
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -163.289279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.289279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.289279 (E_RNA)
where:
Base-Base interactions energy: -59.216
where: short stacking energy: -51.814
Base-Backbone interact. energy: 2.136
local terms energy: -106.208996
where:
bonds (distance) C4'-P energy: -27.416
bonds (distance) P-C4' energy: -31.354
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -17.831
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: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -172.290026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.290026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.290026 (E_RNA)
where:
Base-Base interactions energy: -55.735
where: short stacking energy: -43.171
Base-Backbone interact. energy: 1.788
local terms energy: -118.343755
where:
bonds (distance) C4'-P energy: -29.127
bonds (distance) P-C4' energy: -33.923
flat angles C4'-P-C4' energy: -31.296
flat angles P-C4'-P energy: -21.726
tors. eta vs tors. theta energy: -2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -161.705655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.705655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.705655 (E_RNA)
where:
Base-Base interactions energy: -63.857
where: short stacking energy: -48.921
Base-Backbone interact. energy: 0.018
local terms energy: -97.866570
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -37.236
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -554.684087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.684087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.684087 (E_RNA)
where:
Base-Base interactions energy: -370.231
where: short stacking energy: -162.650
Base-Backbone interact. energy: 0.641
local terms energy: -185.094394
where:
bonds (distance) C4'-P energy: -36.743
bonds (distance) P-C4' energy: -33.712
flat angles C4'-P-C4' energy: -38.142
flat angles P-C4'-P energy: -24.947
tors. eta vs tors. theta energy: -51.552
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: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -526.551886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.551886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.551886 (E_RNA)
where:
Base-Base interactions energy: -339.663
where: short stacking energy: -168.203
Base-Backbone interact. energy: -0.510
local terms energy: -186.379280
where:
bonds (distance) C4'-P energy: -32.971
bonds (distance) P-C4' energy: -29.097
flat angles C4'-P-C4' energy: -41.452
flat angles P-C4'-P energy: -26.145
tors. eta vs tors. theta energy: -56.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -479.678336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.678336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.678336 (E_RNA)
where:
Base-Base interactions energy: -313.580
where: short stacking energy: -139.624
Base-Backbone interact. energy: -0.852
local terms energy: -165.246650
where:
bonds (distance) C4'-P energy: -34.881
bonds (distance) P-C4' energy: -31.848
flat angles C4'-P-C4' energy: -39.153
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -42.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -441.711189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.711189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.711189 (E_RNA)
where:
Base-Base interactions energy: -280.411
where: short stacking energy: -128.073
Base-Backbone interact. energy: -0.134
local terms energy: -161.166586
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -33.816
flat angles C4'-P-C4' energy: -35.195
flat angles P-C4'-P energy: -20.817
tors. eta vs tors. theta energy: -43.286
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: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -458.434059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.434059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.434059 (E_RNA)
where:
Base-Base interactions energy: -286.625
where: short stacking energy: -117.982
Base-Backbone interact. energy: -0.189
local terms energy: -171.620237
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -36.330
flat angles C4'-P-C4' energy: -36.977
flat angles P-C4'-P energy: -26.590
tors. eta vs tors. theta energy: -40.735
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: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -315.807444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.807444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.807444 (E_RNA)
where:
Base-Base interactions energy: -178.223
where: short stacking energy: -81.834
Base-Backbone interact. energy: -0.108
local terms energy: -137.476797
where:
bonds (distance) C4'-P energy: -31.864
bonds (distance) P-C4' energy: -28.740
flat angles C4'-P-C4' energy: -36.741
flat angles P-C4'-P energy: -22.439
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -191.765247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.765247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.765247 (E_RNA)
where:
Base-Base interactions energy: -86.435
where: short stacking energy: -51.149
Base-Backbone interact. energy: 2.087
local terms energy: -107.416956
where:
bonds (distance) C4'-P energy: -27.433
bonds (distance) P-C4' energy: -41.050
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: 4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -179.910035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.910035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.910035 (E_RNA)
where:
Base-Base interactions energy: -80.102
where: short stacking energy: -59.812
Base-Backbone interact. energy: 7.326
local terms energy: -107.134377
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -7.343
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: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -164.225503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.225503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.225503 (E_RNA)
where:
Base-Base interactions energy: -72.281
where: short stacking energy: -50.635
Base-Backbone interact. energy: -1.649
local terms energy: -90.295501
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -27.233
flat angles P-C4'-P energy: -8.458
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: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -154.684790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.684790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.684790 (E_RNA)
where:
Base-Base interactions energy: -65.084
where: short stacking energy: -54.213
Base-Backbone interact. energy: -0.677
local terms energy: -88.923563
where:
bonds (distance) C4'-P energy: -25.834
bonds (distance) P-C4' energy: -38.105
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: 2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -560.261397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.261397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.261397 (E_RNA)
where:
Base-Base interactions energy: -374.202
where: short stacking energy: -155.444
Base-Backbone interact. energy: -1.060
local terms energy: -184.999033
where:
bonds (distance) C4'-P energy: -38.543
bonds (distance) P-C4' energy: -36.068
flat angles C4'-P-C4' energy: -38.349
flat angles P-C4'-P energy: -27.029
tors. eta vs tors. theta energy: -45.010
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: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -530.440075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.440075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.440075 (E_RNA)
where:
Base-Base interactions energy: -337.381
where: short stacking energy: -157.068
Base-Backbone interact. energy: -0.133
local terms energy: -192.926880
where:
bonds (distance) C4'-P energy: -36.558
bonds (distance) P-C4' energy: -41.015
flat angles C4'-P-C4' energy: -33.035
flat angles P-C4'-P energy: -25.731
tors. eta vs tors. theta energy: -56.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -489.963948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.963948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.963948 (E_RNA)
where:
Base-Base interactions energy: -330.903
where: short stacking energy: -128.102
Base-Backbone interact. energy: -0.663
local terms energy: -158.397873
where:
bonds (distance) C4'-P energy: -36.560
bonds (distance) P-C4' energy: -29.551
flat angles C4'-P-C4' energy: -38.130
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -35.781
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: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -436.593583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.593583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.593583 (E_RNA)
where:
Base-Base interactions energy: -281.931
where: short stacking energy: -121.306
Base-Backbone interact. energy: 0.509
local terms energy: -155.171750
where:
bonds (distance) C4'-P energy: -32.714
bonds (distance) P-C4' energy: -36.985
flat angles C4'-P-C4' energy: -31.536
flat angles P-C4'-P energy: -22.325
tors. eta vs tors. theta energy: -31.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -424.254808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.254808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.254808 (E_RNA)
where:
Base-Base interactions energy: -288.823
where: short stacking energy: -116.240
Base-Backbone interact. energy: 0.524
local terms energy: -135.956547
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -33.848
flat angles C4'-P-C4' energy: -32.408
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -30.682
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: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -333.885101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.885101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.885101 (E_RNA)
where:
Base-Base interactions energy: -200.974
where: short stacking energy: -110.672
Base-Backbone interact. energy: -1.071
local terms energy: -131.840897
where:
bonds (distance) C4'-P energy: -26.925
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -32.624
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -27.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -231.192597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.192597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.192597 (E_RNA)
where:
Base-Base interactions energy: -105.204
where: short stacking energy: -55.610
Base-Backbone interact. energy: 1.494
local terms energy: -127.482532
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -40.510
flat angles C4'-P-C4' energy: -24.615
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -9.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -186.275485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.275485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.275485 (E_RNA)
where:
Base-Base interactions energy: -64.145
where: short stacking energy: -61.533
Base-Backbone interact. energy: -0.248
local terms energy: -121.882823
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -31.823
flat angles C4'-P-C4' energy: -29.804
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -183.050448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.050448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.050448 (E_RNA)
where:
Base-Base interactions energy: -80.957
where: short stacking energy: -46.131
Base-Backbone interact. energy: -0.375
local terms energy: -101.719076
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -32.003
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -168.839787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.839787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.839787 (E_RNA)
where:
Base-Base interactions energy: -62.733
where: short stacking energy: -32.970
Base-Backbone interact. energy: -1.509
local terms energy: -104.597753
where:
bonds (distance) C4'-P energy: -31.205
bonds (distance) P-C4' energy: -36.000
flat angles C4'-P-C4' energy: -27.520
flat angles P-C4'-P energy: -17.185
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: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -565.814894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.814894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.814894 (E_RNA)
where:
Base-Base interactions energy: -372.439
where: short stacking energy: -161.842
Base-Backbone interact. energy: -0.333
local terms energy: -193.042886
where:
bonds (distance) C4'-P energy: -40.430
bonds (distance) P-C4' energy: -39.129
flat angles C4'-P-C4' energy: -39.004
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -50.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -521.837221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.837221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.837221 (E_RNA)
where:
Base-Base interactions energy: -339.260
where: short stacking energy: -157.165
Base-Backbone interact. energy: -1.888
local terms energy: -180.688682
where:
bonds (distance) C4'-P energy: -33.913
bonds (distance) P-C4' energy: -32.442
flat angles C4'-P-C4' energy: -40.581
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -53.165
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: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -494.192879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.192879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.192879 (E_RNA)
where:
Base-Base interactions energy: -328.559
where: short stacking energy: -134.581
Base-Backbone interact. energy: 0.226
local terms energy: -165.860091
where:
bonds (distance) C4'-P energy: -38.482
bonds (distance) P-C4' energy: -27.298
flat angles C4'-P-C4' energy: -34.371
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: -44.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -427.804720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.804720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.804720 (E_RNA)
where:
Base-Base interactions energy: -277.366
where: short stacking energy: -113.291
Base-Backbone interact. energy: -0.474
local terms energy: -149.964799
where:
bonds (distance) C4'-P energy: -29.313
bonds (distance) P-C4' energy: -35.946
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -34.539
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: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -404.713564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.713564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.713564 (E_RNA)
where:
Base-Base interactions energy: -266.165
where: short stacking energy: -117.115
Base-Backbone interact. energy: -1.443
local terms energy: -137.105163
where:
bonds (distance) C4'-P energy: -27.682
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -34.125
flat angles P-C4'-P energy: -22.228
tors. eta vs tors. theta energy: -27.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -338.141223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.141223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.141223 (E_RNA)
where:
Base-Base interactions energy: -207.301
where: short stacking energy: -100.468
Base-Backbone interact. energy: -0.492
local terms energy: -130.348021
where:
bonds (distance) C4'-P energy: -31.233
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -257.549639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.549639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.549639 (E_RNA)
where:
Base-Base interactions energy: -143.719
where: short stacking energy: -76.725
Base-Backbone interact. energy: -0.428
local terms energy: -113.403423
where:
bonds (distance) C4'-P energy: -31.010
bonds (distance) P-C4' energy: -24.988
flat angles C4'-P-C4' energy: -22.608
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -167.834152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.834152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.834152 (E_RNA)
where:
Base-Base interactions energy: -52.386
where: short stacking energy: -42.192
Base-Backbone interact. energy: -0.364
local terms energy: -115.084516
where:
bonds (distance) C4'-P energy: -34.232
bonds (distance) P-C4' energy: -40.944
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: 6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -166.872279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.872279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.872279 (E_RNA)
where:
Base-Base interactions energy: -59.641
where: short stacking energy: -42.678
Base-Backbone interact. energy: 0.432
local terms energy: -107.662837
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -34.238
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -142.438078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.438078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.438078 (E_RNA)
where:
Base-Base interactions energy: -47.078
where: short stacking energy: -40.689
Base-Backbone interact. energy: -0.760
local terms energy: -94.600167
where:
bonds (distance) C4'-P energy: -34.132
bonds (distance) P-C4' energy: -32.323
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -16.067
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: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -570.156155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.156155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.156155 (E_RNA)
where:
Base-Base interactions energy: -376.121
where: short stacking energy: -166.837
Base-Backbone interact. energy: -2.687
local terms energy: -191.348385
where:
bonds (distance) C4'-P energy: -37.003
bonds (distance) P-C4' energy: -38.082
flat angles C4'-P-C4' energy: -36.718
flat angles P-C4'-P energy: -24.860
tors. eta vs tors. theta energy: -54.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -512.059032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.059032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.059032 (E_RNA)
where:
Base-Base interactions energy: -331.957
where: short stacking energy: -141.294
Base-Backbone interact. energy: -0.631
local terms energy: -179.471432
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -38.695
flat angles C4'-P-C4' energy: -39.837
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -49.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -498.327877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.327877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.327877 (E_RNA)
where:
Base-Base interactions energy: -322.419
where: short stacking energy: -114.916
Base-Backbone interact. energy: -0.806
local terms energy: -175.102899
where:
bonds (distance) C4'-P energy: -32.268
bonds (distance) P-C4' energy: -37.895
flat angles C4'-P-C4' energy: -37.888
flat angles P-C4'-P energy: -24.732
tors. eta vs tors. theta energy: -42.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -437.572988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.572988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.572988 (E_RNA)
where:
Base-Base interactions energy: -288.279
where: short stacking energy: -132.288
Base-Backbone interact. energy: 0.089
local terms energy: -149.383036
where:
bonds (distance) C4'-P energy: -28.376
bonds (distance) P-C4' energy: -37.613
flat angles C4'-P-C4' energy: -33.121
flat angles P-C4'-P energy: -16.498
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: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -419.233286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.233286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.233286 (E_RNA)
where:
Base-Base interactions energy: -257.448
where: short stacking energy: -122.423
Base-Backbone interact. energy: -0.195
local terms energy: -161.589917
where:
bonds (distance) C4'-P energy: -29.263
bonds (distance) P-C4' energy: -32.904
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -43.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -300.639104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.639104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.639104 (E_RNA)
where:
Base-Base interactions energy: -170.130
where: short stacking energy: -82.589
Base-Backbone interact. energy: -0.493
local terms energy: -130.016631
where:
bonds (distance) C4'-P energy: -26.690
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -34.584
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -256.545810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.545810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.545810 (E_RNA)
where:
Base-Base interactions energy: -126.660
where: short stacking energy: -84.754
Base-Backbone interact. energy: -0.803
local terms energy: -129.082332
where:
bonds (distance) C4'-P energy: -36.761
bonds (distance) P-C4' energy: -29.427
flat angles C4'-P-C4' energy: -27.214
flat angles P-C4'-P energy: -21.024
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -166.353714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.353714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.353714 (E_RNA)
where:
Base-Base interactions energy: -49.669
where: short stacking energy: -43.011
Base-Backbone interact. energy: -0.788
local terms energy: -115.897126
where:
bonds (distance) C4'-P energy: -32.341
bonds (distance) P-C4' energy: -32.967
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -20.002
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: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -162.918028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.918028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.918028 (E_RNA)
where:
Base-Base interactions energy: -59.438
where: short stacking energy: -47.071
Base-Backbone interact. energy: -0.711
local terms energy: -102.768408
where:
bonds (distance) C4'-P energy: -27.771
bonds (distance) P-C4' energy: -24.497
flat angles C4'-P-C4' energy: -26.556
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -154.748234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.748234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.748234 (E_RNA)
where:
Base-Base interactions energy: -48.037
where: short stacking energy: -32.406
Base-Backbone interact. energy: -0.405
local terms energy: -106.306179
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -28.823
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -570.011070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.011070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.011070 (E_RNA)
where:
Base-Base interactions energy: -387.754
where: short stacking energy: -171.728
Base-Backbone interact. energy: 0.139
local terms energy: -182.396381
where:
bonds (distance) C4'-P energy: -31.753
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -36.963
flat angles P-C4'-P energy: -19.409
tors. eta vs tors. theta energy: -55.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -517.989092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.989092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.989092 (E_RNA)
where:
Base-Base interactions energy: -326.080
where: short stacking energy: -153.004
Base-Backbone interact. energy: -0.414
local terms energy: -191.494609
where:
bonds (distance) C4'-P energy: -35.073
bonds (distance) P-C4' energy: -32.966
flat angles C4'-P-C4' energy: -40.987
flat angles P-C4'-P energy: -31.250
tors. eta vs tors. theta energy: -51.218
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: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -501.180445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.180445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.180445 (E_RNA)
where:
Base-Base interactions energy: -340.918
where: short stacking energy: -129.809
Base-Backbone interact. energy: -0.306
local terms energy: -159.956442
where:
bonds (distance) C4'-P energy: -31.684
bonds (distance) P-C4' energy: -33.839
flat angles C4'-P-C4' energy: -34.952
flat angles P-C4'-P energy: -18.753
tors. eta vs tors. theta energy: -40.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -432.937359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.937359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.937359 (E_RNA)
where:
Base-Base interactions energy: -274.733
where: short stacking energy: -114.425
Base-Backbone interact. energy: -0.334
local terms energy: -157.870592
where:
bonds (distance) C4'-P energy: -33.105
bonds (distance) P-C4' energy: -35.138
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -20.550
tors. eta vs tors. theta energy: -36.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -399.457287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.457287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.457287 (E_RNA)
where:
Base-Base interactions energy: -235.539
where: short stacking energy: -105.679
Base-Backbone interact. energy: -0.944
local terms energy: -162.974288
where:
bonds (distance) C4'-P energy: -27.660
bonds (distance) P-C4' energy: -40.884
flat angles C4'-P-C4' energy: -37.891
flat angles P-C4'-P energy: -23.041
tors. eta vs tors. theta energy: -33.499
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: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -302.700806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.700806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.700806 (E_RNA)
where:
Base-Base interactions energy: -171.107
where: short stacking energy: -91.384
Base-Backbone interact. energy: -0.793
local terms energy: -130.799973
where:
bonds (distance) C4'-P energy: -32.122
bonds (distance) P-C4' energy: -32.660
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -22.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -269.191557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.191557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.191557 (E_RNA)
where:
Base-Base interactions energy: -138.580
where: short stacking energy: -67.680
Base-Backbone interact. energy: -1.472
local terms energy: -129.139656
where:
bonds (distance) C4'-P energy: -29.776
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -37.294
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -172.395566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.395566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.395566 (E_RNA)
where:
Base-Base interactions energy: -63.033
where: short stacking energy: -50.178
Base-Backbone interact. energy: -0.786
local terms energy: -108.577265
where:
bonds (distance) C4'-P energy: -32.761
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -30.573
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -159.132052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.132052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.132052 (E_RNA)
where:
Base-Base interactions energy: -61.343
where: short stacking energy: -36.616
Base-Backbone interact. energy: -0.950
local terms energy: -96.838796
where:
bonds (distance) C4'-P energy: -28.915
bonds (distance) P-C4' energy: -34.381
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -13.621
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: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -160.166861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.166861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.166861 (E_RNA)
where:
Base-Base interactions energy: -52.733
where: short stacking energy: -38.181
Base-Backbone interact. energy: -0.460
local terms energy: -106.973390
where:
bonds (distance) C4'-P energy: -29.206
bonds (distance) P-C4' energy: -33.816
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: 5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -573.330354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.330354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.330354 (E_RNA)
where:
Base-Base interactions energy: -375.469
where: short stacking energy: -147.774
Base-Backbone interact. energy: -0.075
local terms energy: -197.787325
where:
bonds (distance) C4'-P energy: -36.531
bonds (distance) P-C4' energy: -39.355
flat angles C4'-P-C4' energy: -38.840
flat angles P-C4'-P energy: -31.678
tors. eta vs tors. theta energy: -51.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -503.200089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.200089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.200089 (E_RNA)
where:
Base-Base interactions energy: -313.401
where: short stacking energy: -152.232
Base-Backbone interact. energy: -0.060
local terms energy: -189.738806
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -38.020
flat angles C4'-P-C4' energy: -43.680
flat angles P-C4'-P energy: -30.049
tors. eta vs tors. theta energy: -47.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -496.725565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.725565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.725565 (E_RNA)
where:
Base-Base interactions energy: -325.725
where: short stacking energy: -124.550
Base-Backbone interact. energy: 0.070
local terms energy: -171.070240
where:
bonds (distance) C4'-P energy: -34.908
bonds (distance) P-C4' energy: -37.711
flat angles C4'-P-C4' energy: -33.060
flat angles P-C4'-P energy: -20.700
tors. eta vs tors. theta energy: -44.691
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: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -429.069347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.069347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.069347 (E_RNA)
where:
Base-Base interactions energy: -274.807
where: short stacking energy: -108.430
Base-Backbone interact. energy: -0.003
local terms energy: -154.259153
where:
bonds (distance) C4'-P energy: -33.139
bonds (distance) P-C4' energy: -34.877
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -23.967
tors. eta vs tors. theta energy: -28.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -384.614879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.614879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.614879 (E_RNA)
where:
Base-Base interactions energy: -227.672
where: short stacking energy: -110.678
Base-Backbone interact. energy: -2.888
local terms energy: -154.054573
where:
bonds (distance) C4'-P energy: -37.987
bonds (distance) P-C4' energy: -27.097
flat angles C4'-P-C4' energy: -35.936
flat angles P-C4'-P energy: -23.694
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: 6, replica: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -296.949180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.949180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.949180 (E_RNA)
where:
Base-Base interactions energy: -161.497
where: short stacking energy: -74.494
Base-Backbone interact. energy: -0.539
local terms energy: -134.913599
where:
bonds (distance) C4'-P energy: -33.342
bonds (distance) P-C4' energy: -35.285
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -17.395
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: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -252.535034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.535034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.535034 (E_RNA)
where:
Base-Base interactions energy: -142.896
where: short stacking energy: -64.218
Base-Backbone interact. energy: -1.035
local terms energy: -108.603900
where:
bonds (distance) C4'-P energy: -29.277
bonds (distance) P-C4' energy: -30.962
flat angles C4'-P-C4' energy: -29.980
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -185.073479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.073479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.073479 (E_RNA)
where:
Base-Base interactions energy: -77.641
where: short stacking energy: -48.237
Base-Backbone interact. energy: 0.028
local terms energy: -107.460399
where:
bonds (distance) C4'-P energy: -26.002
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -31.922
flat angles P-C4'-P energy: -21.072
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -158.166082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.166082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.166082 (E_RNA)
where:
Base-Base interactions energy: -53.325
where: short stacking energy: -40.176
Base-Backbone interact. energy: -1.124
local terms energy: -103.717284
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -33.284
flat angles C4'-P-C4' energy: -26.636
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -155.452411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.452411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.452411 (E_RNA)
where:
Base-Base interactions energy: -50.432
where: short stacking energy: -36.231
Base-Backbone interact. energy: -0.458
local terms energy: -104.563024
where:
bonds (distance) C4'-P energy: -38.060
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: 2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -563.977323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.977323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.977323 (E_RNA)
where:
Base-Base interactions energy: -373.178
where: short stacking energy: -162.310
Base-Backbone interact. energy: -0.704
local terms energy: -190.095679
where:
bonds (distance) C4'-P energy: -40.331
bonds (distance) P-C4' energy: -31.027
flat angles C4'-P-C4' energy: -42.852
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -50.441
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: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -505.131707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.131707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.131707 (E_RNA)
where:
Base-Base interactions energy: -307.631
where: short stacking energy: -154.113
Base-Backbone interact. energy: -0.881
local terms energy: -196.619860
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -41.178
flat angles C4'-P-C4' energy: -40.882
flat angles P-C4'-P energy: -28.669
tors. eta vs tors. theta energy: -51.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -482.080359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.080359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.080359 (E_RNA)
where:
Base-Base interactions energy: -327.228
where: short stacking energy: -154.773
Base-Backbone interact. energy: 1.520
local terms energy: -156.372211
where:
bonds (distance) C4'-P energy: -32.170
bonds (distance) P-C4' energy: -29.665
flat angles C4'-P-C4' energy: -35.562
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -45.238
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: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -439.147309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.147309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.147309 (E_RNA)
where:
Base-Base interactions energy: -285.777
where: short stacking energy: -122.236
Base-Backbone interact. energy: -0.235
local terms energy: -153.135229
where:
bonds (distance) C4'-P energy: -33.790
bonds (distance) P-C4' energy: -29.303
flat angles C4'-P-C4' energy: -32.101
flat angles P-C4'-P energy: -21.818
tors. eta vs tors. theta energy: -36.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -399.680205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.680205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.680205 (E_RNA)
where:
Base-Base interactions energy: -244.585
where: short stacking energy: -114.281
Base-Backbone interact. energy: 1.654
local terms energy: -156.749221
where:
bonds (distance) C4'-P energy: -25.390
bonds (distance) P-C4' energy: -39.893
flat angles C4'-P-C4' energy: -36.665
flat angles P-C4'-P energy: -23.773
tors. eta vs tors. theta energy: -31.028
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: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -299.402157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.402157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.402157 (E_RNA)
where:
Base-Base interactions energy: -158.793
where: short stacking energy: -81.148
Base-Backbone interact. energy: -0.094
local terms energy: -140.515150
where:
bonds (distance) C4'-P energy: -33.682
bonds (distance) P-C4' energy: -38.214
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -20.436
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -225.608538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.608538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.608538 (E_RNA)
where:
Base-Base interactions energy: -110.034
where: short stacking energy: -43.428
Base-Backbone interact. energy: 1.017
local terms energy: -116.591400
where:
bonds (distance) C4'-P energy: -34.177
bonds (distance) P-C4' energy: -32.696
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -172.397314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.397314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.397314 (E_RNA)
where:
Base-Base interactions energy: -65.794
where: short stacking energy: -57.686
Base-Backbone interact. energy: -1.067
local terms energy: -105.536722
where:
bonds (distance) C4'-P energy: -21.983
bonds (distance) P-C4' energy: -33.182
flat angles C4'-P-C4' energy: -30.662
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -161.449387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.449387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.449387 (E_RNA)
where:
Base-Base interactions energy: -54.407
where: short stacking energy: -38.012
Base-Backbone interact. energy: -0.722
local terms energy: -106.320327
where:
bonds (distance) C4'-P energy: -38.160
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -26.525
flat angles P-C4'-P energy: -20.987
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: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -148.530994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.530994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.530994 (E_RNA)
where:
Base-Base interactions energy: -47.265
where: short stacking energy: -35.649
Base-Backbone interact. energy: -0.200
local terms energy: -101.066236
where:
bonds (distance) C4'-P energy: -34.452
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: 2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -569.503466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.503466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.503466 (E_RNA)
where:
Base-Base interactions energy: -378.746
where: short stacking energy: -169.224
Base-Backbone interact. energy: 0.055
local terms energy: -190.812295
where:
bonds (distance) C4'-P energy: -31.719
bonds (distance) P-C4' energy: -36.160
flat angles C4'-P-C4' energy: -38.979
flat angles P-C4'-P energy: -27.911
tors. eta vs tors. theta energy: -56.042
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: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -501.259784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.259784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.259784 (E_RNA)
where:
Base-Base interactions energy: -337.927
where: short stacking energy: -137.514
Base-Backbone interact. energy: -0.355
local terms energy: -162.977651
where:
bonds (distance) C4'-P energy: -35.602
bonds (distance) P-C4' energy: -29.538
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -46.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -489.649119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.649119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.649119 (E_RNA)
where:
Base-Base interactions energy: -311.879
where: short stacking energy: -139.864
Base-Backbone interact. energy: -0.550
local terms energy: -177.220242
where:
bonds (distance) C4'-P energy: -37.406
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -37.891
flat angles P-C4'-P energy: -23.160
tors. eta vs tors. theta energy: -49.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -424.694882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.694882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.694882 (E_RNA)
where:
Base-Base interactions energy: -282.537
where: short stacking energy: -118.611
Base-Backbone interact. energy: -1.090
local terms energy: -141.067857
where:
bonds (distance) C4'-P energy: -29.165
bonds (distance) P-C4' energy: -25.714
flat angles C4'-P-C4' energy: -32.148
flat angles P-C4'-P energy: -25.338
tors. eta vs tors. theta energy: -28.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -419.405196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.405196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.405196 (E_RNA)
where:
Base-Base interactions energy: -280.348
where: short stacking energy: -114.741
Base-Backbone interact. energy: -0.222
local terms energy: -138.835117
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -29.493
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: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -289.960614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.960614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.960614 (E_RNA)
where:
Base-Base interactions energy: -154.711
where: short stacking energy: -80.200
Base-Backbone interact. energy: 1.509
local terms energy: -136.759554
where:
bonds (distance) C4'-P energy: -32.599
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -31.605
flat angles P-C4'-P energy: -23.288
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -283.526845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.526845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.526845 (E_RNA)
where:
Base-Base interactions energy: -146.312
where: short stacking energy: -72.832
Base-Backbone interact. energy: -1.202
local terms energy: -136.013118
where:
bonds (distance) C4'-P energy: -33.642
bonds (distance) P-C4' energy: -33.298
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -14.434
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: 209
Temperature: 1.250000
Total energy: -161.322206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.322206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.322206 (E_RNA)
where:
Base-Base interactions energy: -66.970
where: short stacking energy: -36.665
Base-Backbone interact. energy: -0.174
local terms energy: -94.177646
where:
bonds (distance) C4'-P energy: -28.066
bonds (distance) P-C4' energy: -32.824
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -13.564
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: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -155.603557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.603557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.603557 (E_RNA)
where:
Base-Base interactions energy: -62.338
where: short stacking energy: -43.183
Base-Backbone interact. energy: -0.606
local terms energy: -92.659549
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -28.827
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -13.705
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: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -143.348566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.348566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.348566 (E_RNA)
where:
Base-Base interactions energy: -43.464
where: short stacking energy: -31.625
Base-Backbone interact. energy: 1.191
local terms energy: -101.075741
where:
bonds (distance) C4'-P energy: -33.202
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -566.985535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.985535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.985535 (E_RNA)
where:
Base-Base interactions energy: -375.332
where: short stacking energy: -149.548
Base-Backbone interact. energy: -2.316
local terms energy: -189.337449
where:
bonds (distance) C4'-P energy: -38.107
bonds (distance) P-C4' energy: -37.649
flat angles C4'-P-C4' energy: -33.375
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: -46.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -516.586967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.586967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.586967 (E_RNA)
where:
Base-Base interactions energy: -355.946
where: short stacking energy: -146.260
Base-Backbone interact. energy: -1.222
local terms energy: -159.419089
where:
bonds (distance) C4'-P energy: -29.917
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -38.892
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -47.443
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: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -490.282883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.282883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.282883 (E_RNA)
where:
Base-Base interactions energy: -313.328
where: short stacking energy: -147.759
Base-Backbone interact. energy: 0.392
local terms energy: -177.347285
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -37.603
flat angles C4'-P-C4' energy: -30.317
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: -48.599
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: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -434.338301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.338301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.338301 (E_RNA)
where:
Base-Base interactions energy: -280.591
where: short stacking energy: -123.764
Base-Backbone interact. energy: -1.075
local terms energy: -152.672555
where:
bonds (distance) C4'-P energy: -28.674
bonds (distance) P-C4' energy: -34.267
flat angles C4'-P-C4' energy: -31.931
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -37.535
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: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -398.180205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.180205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.180205 (E_RNA)
where:
Base-Base interactions energy: -248.844
where: short stacking energy: -100.109
Base-Backbone interact. energy: -1.126
local terms energy: -148.210252
where:
bonds (distance) C4'-P energy: -33.645
bonds (distance) P-C4' energy: -35.134
flat angles C4'-P-C4' energy: -35.121
flat angles P-C4'-P energy: -21.774
tors. eta vs tors. theta energy: -22.537
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: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -300.710827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.710827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.710827 (E_RNA)
where:
Base-Base interactions energy: -156.415
where: short stacking energy: -72.059
Base-Backbone interact. energy: 0.185
local terms energy: -144.480804
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -36.728
flat angles C4'-P-C4' energy: -36.786
flat angles P-C4'-P energy: -23.037
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: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -235.477900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.477900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.477900 (E_RNA)
where:
Base-Base interactions energy: -125.341
where: short stacking energy: -62.281
Base-Backbone interact. energy: -0.796
local terms energy: -109.341098
where:
bonds (distance) C4'-P energy: -29.592
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -175.181095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.181095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.181095 (E_RNA)
where:
Base-Base interactions energy: -63.674
where: short stacking energy: -46.372
Base-Backbone interact. energy: 0.956
local terms energy: -112.463531
where:
bonds (distance) C4'-P energy: -30.195
bonds (distance) P-C4' energy: -38.303
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -165.626993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.626993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.626993 (E_RNA)
where:
Base-Base interactions energy: -57.973
where: short stacking energy: -54.970
Base-Backbone interact. energy: -1.012
local terms energy: -106.642455
where:
bonds (distance) C4'-P energy: -30.024
bonds (distance) P-C4' energy: -28.144
flat angles C4'-P-C4' energy: -28.724
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -166.600854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.600854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.600854 (E_RNA)
where:
Base-Base interactions energy: -62.499
where: short stacking energy: -53.157
Base-Backbone interact. energy: -0.031
local terms energy: -104.071204
where:
bonds (distance) C4'-P energy: -23.814
bonds (distance) P-C4' energy: -33.996
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -4.638
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: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -581.156737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.156737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.156737 (E_RNA)
where:
Base-Base interactions energy: -389.110
where: short stacking energy: -161.527
Base-Backbone interact. energy: -0.599
local terms energy: -191.448578
where:
bonds (distance) C4'-P energy: -33.883
bonds (distance) P-C4' energy: -36.816
flat angles C4'-P-C4' energy: -39.399
flat angles P-C4'-P energy: -25.375
tors. eta vs tors. theta energy: -55.976
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: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -510.787945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.787945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.787945 (E_RNA)
where:
Base-Base interactions energy: -344.176
where: short stacking energy: -141.060
Base-Backbone interact. energy: -0.545
local terms energy: -166.066297
where:
bonds (distance) C4'-P energy: -34.337
bonds (distance) P-C4' energy: -32.439
flat angles C4'-P-C4' energy: -37.162
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -42.800
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: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -471.628940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.628940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.628940 (E_RNA)
where:
Base-Base interactions energy: -289.967
where: short stacking energy: -124.302
Base-Backbone interact. energy: 2.803
local terms energy: -184.464674
where:
bonds (distance) C4'-P energy: -38.487
bonds (distance) P-C4' energy: -40.239
flat angles C4'-P-C4' energy: -38.121
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -46.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -467.353757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.353757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.353757 (E_RNA)
where:
Base-Base interactions energy: -307.941
where: short stacking energy: -136.522
Base-Backbone interact. energy: -0.780
local terms energy: -158.633313
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -33.985
flat angles C4'-P-C4' energy: -34.935
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -36.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -443.579094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.579094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.579094 (E_RNA)
where:
Base-Base interactions energy: -280.311
where: short stacking energy: -116.872
Base-Backbone interact. energy: -0.416
local terms energy: -162.852115
where:
bonds (distance) C4'-P energy: -36.653
bonds (distance) P-C4' energy: -33.156
flat angles C4'-P-C4' energy: -35.331
flat angles P-C4'-P energy: -21.350
tors. eta vs tors. theta energy: -36.362
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: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -259.471232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.471232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.471232 (E_RNA)
where:
Base-Base interactions energy: -125.211
where: short stacking energy: -77.349
Base-Backbone interact. energy: 0.077
local terms energy: -134.337478
where:
bonds (distance) C4'-P energy: -27.210
bonds (distance) P-C4' energy: -35.907
flat angles C4'-P-C4' energy: -32.541
flat angles P-C4'-P energy: -24.688
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -265.270750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.270750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.270750 (E_RNA)
where:
Base-Base interactions energy: -133.479
where: short stacking energy: -66.015
Base-Backbone interact. energy: -0.619
local terms energy: -131.172938
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -35.493
flat angles C4'-P-C4' energy: -36.839
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -9.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -189.486847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.486847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.486847 (E_RNA)
where:
Base-Base interactions energy: -87.306
where: short stacking energy: -61.747
Base-Backbone interact. energy: 3.545
local terms energy: -105.725776
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -34.649
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -4.967
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: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -163.285483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.285483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.285483 (E_RNA)
where:
Base-Base interactions energy: -59.054
where: short stacking energy: -49.140
Base-Backbone interact. energy: -1.325
local terms energy: -102.905987
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -27.199
flat angles C4'-P-C4' energy: -35.804
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -151.507189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.507189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.507189 (E_RNA)
where:
Base-Base interactions energy: -58.732
where: short stacking energy: -41.821
Base-Backbone interact. energy: 0.465
local terms energy: -93.239890
where:
bonds (distance) C4'-P energy: -35.622
bonds (distance) P-C4' energy: -30.011
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -0.022
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: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -510.074046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.074046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.074046 (E_RNA)
where:
Base-Base interactions energy: -347.593
where: short stacking energy: -140.708
Base-Backbone interact. energy: 2.536
local terms energy: -165.016427
where:
bonds (distance) C4'-P energy: -34.688
bonds (distance) P-C4' energy: -31.386
flat angles C4'-P-C4' energy: -30.884
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -45.457
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: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -569.434106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.434106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.434106 (E_RNA)
where:
Base-Base interactions energy: -384.687
where: short stacking energy: -168.559
Base-Backbone interact. energy: -1.185
local terms energy: -183.561960
where:
bonds (distance) C4'-P energy: -31.222
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -37.793
flat angles P-C4'-P energy: -27.998
tors. eta vs tors. theta energy: -57.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -467.545235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.545235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.545235 (E_RNA)
where:
Base-Base interactions energy: -301.151
where: short stacking energy: -123.782
Base-Backbone interact. energy: -0.687
local terms energy: -165.707258
where:
bonds (distance) C4'-P energy: -32.736
bonds (distance) P-C4' energy: -33.274
flat angles C4'-P-C4' energy: -39.262
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: -40.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -440.554243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.554243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.554243 (E_RNA)
where:
Base-Base interactions energy: -283.159
where: short stacking energy: -139.890
Base-Backbone interact. energy: -0.055
local terms energy: -157.340678
where:
bonds (distance) C4'-P energy: -36.209
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -30.660
flat angles P-C4'-P energy: -26.225
tors. eta vs tors. theta energy: -42.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -405.623001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.623001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.623001 (E_RNA)
where:
Base-Base interactions energy: -246.437
where: short stacking energy: -117.019
Base-Backbone interact. energy: -0.097
local terms energy: -159.089931
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -39.309
flat angles C4'-P-C4' energy: -31.989
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -36.353
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: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -263.889848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.889848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.889848 (E_RNA)
where:
Base-Base interactions energy: -143.034
where: short stacking energy: -73.453
Base-Backbone interact. energy: -0.430
local terms energy: -120.425786
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -35.492
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: -13.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -244.071661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.071661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.071661 (E_RNA)
where:
Base-Base interactions energy: -117.199
where: short stacking energy: -55.506
Base-Backbone interact. energy: 0.770
local terms energy: -127.642549
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -38.299
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -25.870
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: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -173.927878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.927878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.927878 (E_RNA)
where:
Base-Base interactions energy: -74.097
where: short stacking energy: -43.742
Base-Backbone interact. energy: 4.754
local terms energy: -104.584569
where:
bonds (distance) C4'-P energy: -34.526
bonds (distance) P-C4' energy: -37.235
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: 4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -167.430227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.430227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.430227 (E_RNA)
where:
Base-Base interactions energy: -67.331
where: short stacking energy: -61.134
Base-Backbone interact. energy: -0.336
local terms energy: -99.763064
where:
bonds (distance) C4'-P energy: -28.033
bonds (distance) P-C4' energy: -38.188
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -143.075476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.075476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.075476 (E_RNA)
where:
Base-Base interactions energy: -48.260
where: short stacking energy: -38.403
Base-Backbone interact. energy: -1.584
local terms energy: -93.231664
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -30.036
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: 3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -524.454423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.454423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.454423 (E_RNA)
where:
Base-Base interactions energy: -352.311
where: short stacking energy: -141.008
Base-Backbone interact. energy: -1.537
local terms energy: -170.607033
where:
bonds (distance) C4'-P energy: -33.870
bonds (distance) P-C4' energy: -38.623
flat angles C4'-P-C4' energy: -34.811
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -45.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -567.341699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.341699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.341699 (E_RNA)
where:
Base-Base interactions energy: -376.713
where: short stacking energy: -153.109
Base-Backbone interact. energy: -0.471
local terms energy: -190.157529
where:
bonds (distance) C4'-P energy: -37.365
bonds (distance) P-C4' energy: -36.256
flat angles C4'-P-C4' energy: -39.804
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -55.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -469.354627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.354627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.354627 (E_RNA)
where:
Base-Base interactions energy: -302.738
where: short stacking energy: -128.631
Base-Backbone interact. energy: 1.289
local terms energy: -167.906325
where:
bonds (distance) C4'-P energy: -39.477
bonds (distance) P-C4' energy: -28.867
flat angles C4'-P-C4' energy: -41.125
flat angles P-C4'-P energy: -19.411
tors. eta vs tors. theta energy: -39.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -427.429959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.429959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.429959 (E_RNA)
where:
Base-Base interactions energy: -283.685
where: short stacking energy: -115.795
Base-Backbone interact. energy: -0.295
local terms energy: -143.450640
where:
bonds (distance) C4'-P energy: -31.285
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -34.229
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -31.002
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: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -449.702551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.702551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.702551 (E_RNA)
where:
Base-Base interactions energy: -285.500
where: short stacking energy: -137.469
Base-Backbone interact. energy: -1.036
local terms energy: -163.166922
where:
bonds (distance) C4'-P energy: -31.027
bonds (distance) P-C4' energy: -34.119
flat angles C4'-P-C4' energy: -29.814
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -51.169
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: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -267.508011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.508011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.508011 (E_RNA)
where:
Base-Base interactions energy: -137.094
where: short stacking energy: -83.153
Base-Backbone interact. energy: 0.871
local terms energy: -131.285340
where:
bonds (distance) C4'-P energy: -28.984
bonds (distance) P-C4' energy: -33.731
flat angles C4'-P-C4' energy: -27.009
flat angles P-C4'-P energy: -22.308
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -219.707909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.707909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.707909 (E_RNA)
where:
Base-Base interactions energy: -103.580
where: short stacking energy: -53.425
Base-Backbone interact. energy: -0.877
local terms energy: -115.250335
where:
bonds (distance) C4'-P energy: -40.853
bonds (distance) P-C4' energy: -29.510
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -181.423824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.423824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.423824 (E_RNA)
where:
Base-Base interactions energy: -71.886
where: short stacking energy: -59.059
Base-Backbone interact. energy: -0.273
local terms energy: -109.264635
where:
bonds (distance) C4'-P energy: -39.283
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -29.125
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -170.902268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.902268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.902268 (E_RNA)
where:
Base-Base interactions energy: -59.269
where: short stacking energy: -42.875
Base-Backbone interact. energy: 4.389
local terms energy: -116.021355
where:
bonds (distance) C4'-P energy: -28.833
bonds (distance) P-C4' energy: -36.642
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -152.172498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.172498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.172498 (E_RNA)
where:
Base-Base interactions energy: -38.830
where: short stacking energy: -36.744
Base-Backbone interact. energy: 0.832
local terms energy: -114.174099
where:
bonds (distance) C4'-P energy: -30.662
bonds (distance) P-C4' energy: -39.040
flat angles C4'-P-C4' energy: -33.501
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: 5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -580.627909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.627909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.627909 (E_RNA)
where:
Base-Base interactions energy: -397.327
where: short stacking energy: -185.258
Base-Backbone interact. energy: -0.109
local terms energy: -183.191673
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -30.322
flat angles C4'-P-C4' energy: -41.936
flat angles P-C4'-P energy: -29.319
tors. eta vs tors. theta energy: -57.621
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: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -506.563614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.563614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.563614 (E_RNA)
where:
Base-Base interactions energy: -344.635
where: short stacking energy: -136.918
Base-Backbone interact. energy: 0.177
local terms energy: -162.105465
where:
bonds (distance) C4'-P energy: -31.366
bonds (distance) P-C4' energy: -33.839
flat angles C4'-P-C4' energy: -34.263
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -44.131
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: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -466.329834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.329834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.329834 (E_RNA)
where:
Base-Base interactions energy: -298.052
where: short stacking energy: -128.336
Base-Backbone interact. energy: 0.701
local terms energy: -168.979495
where:
bonds (distance) C4'-P energy: -31.288
bonds (distance) P-C4' energy: -37.163
flat angles C4'-P-C4' energy: -27.546
flat angles P-C4'-P energy: -32.918
tors. eta vs tors. theta energy: -40.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -446.280448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.280448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.280448 (E_RNA)
where:
Base-Base interactions energy: -275.344
where: short stacking energy: -134.773
Base-Backbone interact. energy: -0.526
local terms energy: -170.410735
where:
bonds (distance) C4'-P energy: -34.107
bonds (distance) P-C4' energy: -30.097
flat angles C4'-P-C4' energy: -37.713
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -47.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -440.806466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.806466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.806466 (E_RNA)
where:
Base-Base interactions energy: -284.816
where: short stacking energy: -131.134
Base-Backbone interact. energy: -0.023
local terms energy: -155.966760
where:
bonds (distance) C4'-P energy: -30.300
bonds (distance) P-C4' energy: -34.241
flat angles C4'-P-C4' energy: -34.007
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -42.561
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: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -272.211899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.211899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.211899 (E_RNA)
where:
Base-Base interactions energy: -148.145
where: short stacking energy: -87.899
Base-Backbone interact. energy: -0.183
local terms energy: -123.884745
where:
bonds (distance) C4'-P energy: -30.585
bonds (distance) P-C4' energy: -33.824
flat angles C4'-P-C4' energy: -26.956
flat angles P-C4'-P energy: -17.049
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -176.501303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.501303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.501303 (E_RNA)
where:
Base-Base interactions energy: -58.437
where: short stacking energy: -40.679
Base-Backbone interact. energy: -0.897
local terms energy: -117.167963
where:
bonds (distance) C4'-P energy: -35.404
bonds (distance) P-C4' energy: -36.801
flat angles C4'-P-C4' energy: -31.319
flat angles P-C4'-P energy: -11.915
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: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -173.130908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.130908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.130908 (E_RNA)
where:
Base-Base interactions energy: -60.620
where: short stacking energy: -43.465
Base-Backbone interact. energy: -0.525
local terms energy: -111.985789
where:
bonds (distance) C4'-P energy: -37.635
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: 1.531
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: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -163.444786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.444786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.444786 (E_RNA)
where:
Base-Base interactions energy: -59.646
where: short stacking energy: -43.017
Base-Backbone interact. energy: -0.265
local terms energy: -103.533025
where:
bonds (distance) C4'-P energy: -31.416
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: 6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -143.881693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.881693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.881693 (E_RNA)
where:
Base-Base interactions energy: -45.121
where: short stacking energy: -42.238
Base-Backbone interact. energy: -0.130
local terms energy: -98.631336
where:
bonds (distance) C4'-P energy: -35.390
bonds (distance) P-C4' energy: -35.032
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -10.683
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: 215
Temperature: 0.900000
Total energy: -561.558714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.558714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.558714 (E_RNA)
where:
Base-Base interactions energy: -392.354
where: short stacking energy: -148.445
Base-Backbone interact. energy: 1.693
local terms energy: -170.898173
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -38.183
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -46.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -504.890513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.890513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.890513 (E_RNA)
where:
Base-Base interactions energy: -319.536
where: short stacking energy: -124.562
Base-Backbone interact. energy: -0.359
local terms energy: -184.995324
where:
bonds (distance) C4'-P energy: -36.339
bonds (distance) P-C4' energy: -38.783
flat angles C4'-P-C4' energy: -38.260
flat angles P-C4'-P energy: -27.204
tors. eta vs tors. theta energy: -44.409
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: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -470.928577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.928577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.928577 (E_RNA)
where:
Base-Base interactions energy: -312.266
where: short stacking energy: -140.171
Base-Backbone interact. energy: -0.492
local terms energy: -158.170478
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -30.354
flat angles P-C4'-P energy: -28.819
tors. eta vs tors. theta energy: -41.764
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: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -458.649433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.649433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.649433 (E_RNA)
where:
Base-Base interactions energy: -300.794
where: short stacking energy: -119.143
Base-Backbone interact. energy: -0.174
local terms energy: -157.680580
where:
bonds (distance) C4'-P energy: -34.885
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -25.990
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -42.104
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: 5, replica: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -427.369851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.369851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.369851 (E_RNA)
where:
Base-Base interactions energy: -267.218
where: short stacking energy: -114.683
Base-Backbone interact. energy: -0.176
local terms energy: -159.976258
where:
bonds (distance) C4'-P energy: -30.724
bonds (distance) P-C4' energy: -36.900
flat angles C4'-P-C4' energy: -36.579
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -40.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -271.686546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.686546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.686546 (E_RNA)
where:
Base-Base interactions energy: -141.703
where: short stacking energy: -80.162
Base-Backbone interact. energy: 0.582
local terms energy: -130.565294
where:
bonds (distance) C4'-P energy: -28.709
bonds (distance) P-C4' energy: -32.950
flat angles C4'-P-C4' energy: -30.129
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -17.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -180.073026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.073026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.073026 (E_RNA)
where:
Base-Base interactions energy: -61.824
where: short stacking energy: -59.996
Base-Backbone interact. energy: -0.122
local terms energy: -118.126752
where:
bonds (distance) C4'-P energy: -26.739
bonds (distance) P-C4' energy: -35.611
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: -7.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -168.911441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.911441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.911441 (E_RNA)
where:
Base-Base interactions energy: -43.329
where: short stacking energy: -19.551
Base-Backbone interact. energy: -1.133
local terms energy: -124.449498
where:
bonds (distance) C4'-P energy: -34.426
bonds (distance) P-C4' energy: -36.882
flat angles C4'-P-C4' energy: -30.026
flat angles P-C4'-P energy: -21.697
tors. eta vs tors. theta energy: -1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -171.594061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.594061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.594061 (E_RNA)
where:
Base-Base interactions energy: -57.482
where: short stacking energy: -52.981
Base-Backbone interact. energy: -0.639
local terms energy: -113.472943
where:
bonds (distance) C4'-P energy: -31.580
bonds (distance) P-C4' energy: -33.231
flat angles C4'-P-C4' energy: -32.668
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -148.306767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.306767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.306767 (E_RNA)
where:
Base-Base interactions energy: -44.869
where: short stacking energy: -36.798
Base-Backbone interact. energy: 0.284
local terms energy: -103.721442
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -32.649
flat angles C4'-P-C4' energy: -35.590
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: 10.599
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: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -532.391145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.391145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.391145 (E_RNA)
where:
Base-Base interactions energy: -362.099
where: short stacking energy: -150.557
Base-Backbone interact. energy: -1.087
local terms energy: -169.205391
where:
bonds (distance) C4'-P energy: -38.313
bonds (distance) P-C4' energy: -34.586
flat angles C4'-P-C4' energy: -33.237
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -47.303
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: 216
Temperature: 0.950000
Total energy: -549.731206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.731206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.731206 (E_RNA)
where:
Base-Base interactions energy: -371.884
where: short stacking energy: -141.161
Base-Backbone interact. energy: -0.080
local terms energy: -177.767324
where:
bonds (distance) C4'-P energy: -34.390
bonds (distance) P-C4' energy: -34.543
flat angles C4'-P-C4' energy: -38.854
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -48.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -489.270763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.270763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.270763 (E_RNA)
where:
Base-Base interactions energy: -312.606
where: short stacking energy: -155.098
Base-Backbone interact. energy: -1.184
local terms energy: -175.480754
where:
bonds (distance) C4'-P energy: -33.494
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -38.340
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: -47.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -451.891651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.891651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.891651 (E_RNA)
where:
Base-Base interactions energy: -294.865
where: short stacking energy: -126.015
Base-Backbone interact. energy: -0.252
local terms energy: -156.775046
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -32.811
flat angles C4'-P-C4' energy: -34.156
flat angles P-C4'-P energy: -22.848
tors. eta vs tors. theta energy: -38.358
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: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -432.230248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.230248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.230248 (E_RNA)
where:
Base-Base interactions energy: -275.238
where: short stacking energy: -114.928
Base-Backbone interact. energy: -0.668
local terms energy: -156.324068
where:
bonds (distance) C4'-P energy: -39.816
bonds (distance) P-C4' energy: -28.043
flat angles C4'-P-C4' energy: -28.215
flat angles P-C4'-P energy: -25.885
tors. eta vs tors. theta energy: -34.365
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: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -264.550267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.550267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.550267 (E_RNA)
where:
Base-Base interactions energy: -130.713
where: short stacking energy: -81.597
Base-Backbone interact. energy: 0.337
local terms energy: -134.173974
where:
bonds (distance) C4'-P energy: -40.446
bonds (distance) P-C4' energy: -29.536
flat angles C4'-P-C4' energy: -26.159
flat angles P-C4'-P energy: -22.243
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -187.549394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.549394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.549394 (E_RNA)
where:
Base-Base interactions energy: -64.670
where: short stacking energy: -56.559
Base-Backbone interact. energy: 2.284
local terms energy: -125.163262
where:
bonds (distance) C4'-P energy: -41.306
bonds (distance) P-C4' energy: -36.676
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -8.632
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: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -178.746599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.746599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.746599 (E_RNA)
where:
Base-Base interactions energy: -60.123
where: short stacking energy: -59.577
Base-Backbone interact. energy: 0.137
local terms energy: -118.760747
where:
bonds (distance) C4'-P energy: -37.218
bonds (distance) P-C4' energy: -33.763
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -157.559304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.559304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.559304 (E_RNA)
where:
Base-Base interactions energy: -54.587
where: short stacking energy: -40.545
Base-Backbone interact. energy: 3.618
local terms energy: -106.590777
where:
bonds (distance) C4'-P energy: -31.593
bonds (distance) P-C4' energy: -34.130
flat angles C4'-P-C4' energy: -31.422
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: 6.580
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: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -160.455761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.455761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.455761 (E_RNA)
where:
Base-Base interactions energy: -62.267
where: short stacking energy: -51.072
Base-Backbone interact. energy: 1.660
local terms energy: -99.848317
where:
bonds (distance) C4'-P energy: -29.801
bonds (distance) P-C4' energy: -26.715
flat angles C4'-P-C4' energy: -28.276
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: 0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -533.206845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.206845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.206845 (E_RNA)
where:
Base-Base interactions energy: -351.141
where: short stacking energy: -140.999
Base-Backbone interact. energy: -1.491
local terms energy: -180.575398
where:
bonds (distance) C4'-P energy: -32.664
bonds (distance) P-C4' energy: -39.424
flat angles C4'-P-C4' energy: -37.029
flat angles P-C4'-P energy: -24.274
tors. eta vs tors. theta energy: -47.184
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: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -550.288851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.288851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.288851 (E_RNA)
where:
Base-Base interactions energy: -371.961
where: short stacking energy: -162.495
Base-Backbone interact. energy: -0.026
local terms energy: -178.302390
where:
bonds (distance) C4'-P energy: -30.015
bonds (distance) P-C4' energy: -30.276
flat angles C4'-P-C4' energy: -37.405
flat angles P-C4'-P energy: -26.652
tors. eta vs tors. theta energy: -53.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -514.473538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.473538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.473538 (E_RNA)
where:
Base-Base interactions energy: -322.836
where: short stacking energy: -156.653
Base-Backbone interact. energy: -0.634
local terms energy: -191.002942
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -38.273
flat angles C4'-P-C4' energy: -37.180
flat angles P-C4'-P energy: -29.175
tors. eta vs tors. theta energy: -54.755
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: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -435.371515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.371515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.371515 (E_RNA)
where:
Base-Base interactions energy: -272.503
where: short stacking energy: -129.631
Base-Backbone interact. energy: -0.858
local terms energy: -162.010213
where:
bonds (distance) C4'-P energy: -31.428
bonds (distance) P-C4' energy: -39.363
flat angles C4'-P-C4' energy: -34.721
flat angles P-C4'-P energy: -22.985
tors. eta vs tors. theta energy: -33.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -461.472971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.472971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.472971 (E_RNA)
where:
Base-Base interactions energy: -304.999
where: short stacking energy: -126.171
Base-Backbone interact. energy: -0.232
local terms energy: -156.241720
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -32.584
flat angles C4'-P-C4' energy: -35.405
flat angles P-C4'-P energy: -20.134
tors. eta vs tors. theta energy: -39.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -295.422054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.422054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.422054 (E_RNA)
where:
Base-Base interactions energy: -162.359
where: short stacking energy: -83.657
Base-Backbone interact. energy: -0.289
local terms energy: -132.773539
where:
bonds (distance) C4'-P energy: -29.365
bonds (distance) P-C4' energy: -34.967
flat angles C4'-P-C4' energy: -32.458
flat angles P-C4'-P energy: -21.539
tors. eta vs tors. theta energy: -14.444
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: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -184.235754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.235754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.235754 (E_RNA)
where:
Base-Base interactions energy: -67.794
where: short stacking energy: -50.456
Base-Backbone interact. energy: -0.662
local terms energy: -115.780404
where:
bonds (distance) C4'-P energy: -34.813
bonds (distance) P-C4' energy: -30.500
flat angles C4'-P-C4' energy: -32.317
flat angles P-C4'-P energy: -19.026
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: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -150.984354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.984354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.984354 (E_RNA)
where:
Base-Base interactions energy: -50.067
where: short stacking energy: -41.511
Base-Backbone interact. energy: 1.310
local terms energy: -102.227396
where:
bonds (distance) C4'-P energy: -34.571
bonds (distance) P-C4' energy: -27.036
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: 1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -155.139608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.139608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.139608 (E_RNA)
where:
Base-Base interactions energy: -43.541
where: short stacking energy: -30.017
Base-Backbone interact. energy: 1.139
local terms energy: -112.737266
where:
bonds (distance) C4'-P energy: -31.826
bonds (distance) P-C4' energy: -36.927
flat angles C4'-P-C4' energy: -26.476
flat angles P-C4'-P energy: -20.940
tors. eta vs tors. theta energy: 3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -154.351641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.351641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.351641 (E_RNA)
where:
Base-Base interactions energy: -57.783
where: short stacking energy: -56.629
Base-Backbone interact. energy: 3.348
local terms energy: -99.916572
where:
bonds (distance) C4'-P energy: -30.687
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -10.638
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: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -530.263984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.263984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.263984 (E_RNA)
where:
Base-Base interactions energy: -353.660
where: short stacking energy: -149.715
Base-Backbone interact. energy: 0.116
local terms energy: -176.719801
where:
bonds (distance) C4'-P energy: -34.060
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -36.113
flat angles P-C4'-P energy: -25.203
tors. eta vs tors. theta energy: -47.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -547.827455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.827455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.827455 (E_RNA)
where:
Base-Base interactions energy: -363.251
where: short stacking energy: -151.013
Base-Backbone interact. energy: -0.057
local terms energy: -184.520071
where:
bonds (distance) C4'-P energy: -29.531
bonds (distance) P-C4' energy: -37.814
flat angles C4'-P-C4' energy: -34.568
flat angles P-C4'-P energy: -26.325
tors. eta vs tors. theta energy: -56.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -514.652097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.652097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.652097 (E_RNA)
where:
Base-Base interactions energy: -325.115
where: short stacking energy: -165.530
Base-Backbone interact. energy: -0.023
local terms energy: -189.514406
where:
bonds (distance) C4'-P energy: -30.939
bonds (distance) P-C4' energy: -37.132
flat angles C4'-P-C4' energy: -37.523
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -56.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -429.459176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.459176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.459176 (E_RNA)
where:
Base-Base interactions energy: -264.987
where: short stacking energy: -115.034
Base-Backbone interact. energy: -0.328
local terms energy: -164.143976
where:
bonds (distance) C4'-P energy: -32.261
bonds (distance) P-C4' energy: -42.828
flat angles C4'-P-C4' energy: -28.168
flat angles P-C4'-P energy: -21.102
tors. eta vs tors. theta energy: -39.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -453.629894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.629894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.629894 (E_RNA)
where:
Base-Base interactions energy: -289.643
where: short stacking energy: -136.893
Base-Backbone interact. energy: -0.431
local terms energy: -163.556514
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -33.971
flat angles C4'-P-C4' energy: -33.852
flat angles P-C4'-P energy: -23.185
tors. eta vs tors. theta energy: -48.029
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: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -284.279177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.279177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.279177 (E_RNA)
where:
Base-Base interactions energy: -167.191
where: short stacking energy: -73.403
Base-Backbone interact. energy: 2.147
local terms energy: -119.235183
where:
bonds (distance) C4'-P energy: -33.069
bonds (distance) P-C4' energy: -33.519
flat angles C4'-P-C4' energy: -27.086
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -208.890225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.890225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.890225 (E_RNA)
where:
Base-Base interactions energy: -94.805
where: short stacking energy: -64.379
Base-Backbone interact. energy: -0.436
local terms energy: -113.649783
where:
bonds (distance) C4'-P energy: -32.309
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -24.960
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -180.827207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.827207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.827207 (E_RNA)
where:
Base-Base interactions energy: -83.155
where: short stacking energy: -42.308
Base-Backbone interact. energy: -0.180
local terms energy: -97.492481
where:
bonds (distance) C4'-P energy: -32.295
bonds (distance) P-C4' energy: -37.750
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: 5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -148.964765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.964765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.964765 (E_RNA)
where:
Base-Base interactions energy: -45.883
where: short stacking energy: -36.318
Base-Backbone interact. energy: 0.434
local terms energy: -103.515740
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -35.026
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -152.962333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.962333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.962333 (E_RNA)
where:
Base-Base interactions energy: -47.426
where: short stacking energy: -39.683
Base-Backbone interact. energy: -0.543
local terms energy: -104.992922
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -27.463
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -19.229
tors. eta vs tors. theta energy: -1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -543.186344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.186344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.186344 (E_RNA)
where:
Base-Base interactions energy: -366.738
where: short stacking energy: -138.128
Base-Backbone interact. energy: 0.592
local terms energy: -177.039973
where:
bonds (distance) C4'-P energy: -33.301
bonds (distance) P-C4' energy: -36.608
flat angles C4'-P-C4' energy: -31.738
flat angles P-C4'-P energy: -22.230
tors. eta vs tors. theta energy: -53.163
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -548.559506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.559506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.559506 (E_RNA)
where:
Base-Base interactions energy: -365.944
where: short stacking energy: -157.981
Base-Backbone interact. energy: -0.005
local terms energy: -182.610035
where:
bonds (distance) C4'-P energy: -39.607
bonds (distance) P-C4' energy: -36.293
flat angles C4'-P-C4' energy: -36.250
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -56.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -497.581863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.581863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.581863 (E_RNA)
where:
Base-Base interactions energy: -317.699
where: short stacking energy: -150.372
Base-Backbone interact. energy: -0.750
local terms energy: -179.132808
where:
bonds (distance) C4'-P energy: -36.214
bonds (distance) P-C4' energy: -30.323
flat angles C4'-P-C4' energy: -38.495
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -53.759
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: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -468.316804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.316804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.316804 (E_RNA)
where:
Base-Base interactions energy: -292.287
where: short stacking energy: -136.230
Base-Backbone interact. energy: 0.769
local terms energy: -176.798519
where:
bonds (distance) C4'-P energy: -39.680
bonds (distance) P-C4' energy: -32.107
flat angles C4'-P-C4' energy: -37.152
flat angles P-C4'-P energy: -31.320
tors. eta vs tors. theta energy: -36.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -437.571030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.571030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.571030 (E_RNA)
where:
Base-Base interactions energy: -259.794
where: short stacking energy: -118.689
Base-Backbone interact. energy: -0.843
local terms energy: -176.934440
where:
bonds (distance) C4'-P energy: -34.385
bonds (distance) P-C4' energy: -41.571
flat angles C4'-P-C4' energy: -36.537
flat angles P-C4'-P energy: -22.335
tors. eta vs tors. theta energy: -42.106
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: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -279.212066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.212066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.212066 (E_RNA)
where:
Base-Base interactions energy: -154.668
where: short stacking energy: -89.990
Base-Backbone interact. energy: -0.864
local terms energy: -123.679823
where:
bonds (distance) C4'-P energy: -33.601
bonds (distance) P-C4' energy: -28.931
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: -18.387
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: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -172.234124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.234124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.234124 (E_RNA)
where:
Base-Base interactions energy: -68.729
where: short stacking energy: -57.598
Base-Backbone interact. energy: 3.052
local terms energy: -106.557376
where:
bonds (distance) C4'-P energy: -30.394
bonds (distance) P-C4' energy: -33.212
flat angles C4'-P-C4' energy: -26.733
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -0.622
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: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -166.700565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.700565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.700565 (E_RNA)
where:
Base-Base interactions energy: -46.217
where: short stacking energy: -46.217
Base-Backbone interact. energy: -0.342
local terms energy: -120.142220
where:
bonds (distance) C4'-P energy: -36.490
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -28.553
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -171.845366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.845366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.845366 (E_RNA)
where:
Base-Base interactions energy: -74.592
where: short stacking energy: -47.300
Base-Backbone interact. energy: -0.383
local terms energy: -96.871235
where:
bonds (distance) C4'-P energy: -33.462
bonds (distance) P-C4' energy: -34.448
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: 0.120
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: 219
Temperature: 1.350000
Total energy: -159.589568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.589568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.589568 (E_RNA)
where:
Base-Base interactions energy: -58.896
where: short stacking energy: -21.095
Base-Backbone interact. energy: -1.204
local terms energy: -99.488597
where:
bonds (distance) C4'-P energy: -26.985
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -30.098
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: 11.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -542.830867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.830867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.830867 (E_RNA)
where:
Base-Base interactions energy: -365.035
where: short stacking energy: -151.713
Base-Backbone interact. energy: -2.165
local terms energy: -175.631260
where:
bonds (distance) C4'-P energy: -36.451
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -33.201
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -51.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -553.038401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.038401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.038401 (E_RNA)
where:
Base-Base interactions energy: -363.467
where: short stacking energy: -147.716
Base-Backbone interact. energy: -1.889
local terms energy: -187.682320
where:
bonds (distance) C4'-P energy: -32.677
bonds (distance) P-C4' energy: -37.199
flat angles C4'-P-C4' energy: -38.641
flat angles P-C4'-P energy: -25.049
tors. eta vs tors. theta energy: -54.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -475.587719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.587719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.587719 (E_RNA)
where:
Base-Base interactions energy: -312.929
where: short stacking energy: -144.580
Base-Backbone interact. energy: -0.831
local terms energy: -161.827708
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -33.404
flat angles C4'-P-C4' energy: -38.676
flat angles P-C4'-P energy: -30.989
tors. eta vs tors. theta energy: -39.584
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: 220
Temperature: 1.050000
Total energy: -461.752455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.752455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.752455 (E_RNA)
where:
Base-Base interactions energy: -286.850
where: short stacking energy: -141.284
Base-Backbone interact. energy: -1.554
local terms energy: -173.348979
where:
bonds (distance) C4'-P energy: -33.857
bonds (distance) P-C4' energy: -36.404
flat angles C4'-P-C4' energy: -36.574
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -46.498
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: 220
Temperature: 1.100000
Total energy: -395.602456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.602456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.602456 (E_RNA)
where:
Base-Base interactions energy: -260.040
where: short stacking energy: -115.370
Base-Backbone interact. energy: 2.145
local terms energy: -137.707736
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -35.824
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -25.885
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: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -277.206113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.206113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.206113 (E_RNA)
where:
Base-Base interactions energy: -149.382
where: short stacking energy: -87.067
Base-Backbone interact. energy: 0.049
local terms energy: -127.873204
where:
bonds (distance) C4'-P energy: -31.776
bonds (distance) P-C4' energy: -33.531
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -218.886077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.886077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.886077 (E_RNA)
where:
Base-Base interactions energy: -114.730
where: short stacking energy: -61.553
Base-Backbone interact. energy: 0.771
local terms energy: -104.927415
where:
bonds (distance) C4'-P energy: -24.000
bonds (distance) P-C4' energy: -32.326
flat angles C4'-P-C4' energy: -29.397
flat angles P-C4'-P energy: -11.581
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: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -178.592770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.592770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.592770 (E_RNA)
where:
Base-Base interactions energy: -71.772
where: short stacking energy: -50.943
Base-Backbone interact. energy: 0.072
local terms energy: -106.892354
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -33.730
flat angles P-C4'-P energy: -16.085
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: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -178.188486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.188486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.188486 (E_RNA)
where:
Base-Base interactions energy: -83.361
where: short stacking energy: -43.040
Base-Backbone interact. energy: 2.494
local terms energy: -97.321785
where:
bonds (distance) C4'-P energy: -28.675
bonds (distance) P-C4' energy: -36.437
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: 0.863
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: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -142.268185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.268185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.268185 (E_RNA)
where:
Base-Base interactions energy: -35.440
where: short stacking energy: -25.682
Base-Backbone interact. energy: 1.922
local terms energy: -108.750031
where:
bonds (distance) C4'-P energy: -29.901
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -24.916
flat angles P-C4'-P energy: -23.612
tors. eta vs tors. theta energy: -3.751
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: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -538.301248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.301248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.301248 (E_RNA)
where:
Base-Base interactions energy: -364.064
where: short stacking energy: -142.353
Base-Backbone interact. energy: 2.182
local terms energy: -176.419251
where:
bonds (distance) C4'-P energy: -37.771
bonds (distance) P-C4' energy: -33.429
flat angles C4'-P-C4' energy: -39.193
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -43.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -552.214739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.214739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.214739 (E_RNA)
where:
Base-Base interactions energy: -356.768
where: short stacking energy: -141.509
Base-Backbone interact. energy: -0.141
local terms energy: -195.306219
where:
bonds (distance) C4'-P energy: -35.152
bonds (distance) P-C4' energy: -38.985
flat angles C4'-P-C4' energy: -40.854
flat angles P-C4'-P energy: -26.511
tors. eta vs tors. theta energy: -53.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -487.276215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.276215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.276215 (E_RNA)
where:
Base-Base interactions energy: -317.926
where: short stacking energy: -129.419
Base-Backbone interact. energy: -0.070
local terms energy: -169.280805
where:
bonds (distance) C4'-P energy: -33.474
bonds (distance) P-C4' energy: -38.387
flat angles C4'-P-C4' energy: -36.341
flat angles P-C4'-P energy: -21.354
tors. eta vs tors. theta energy: -39.725
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: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -450.234417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.234417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.234417 (E_RNA)
where:
Base-Base interactions energy: -285.767
where: short stacking energy: -131.152
Base-Backbone interact. energy: -0.411
local terms energy: -164.056181
where:
bonds (distance) C4'-P energy: -27.623
bonds (distance) P-C4' energy: -29.219
flat angles C4'-P-C4' energy: -37.219
flat angles P-C4'-P energy: -26.913
tors. eta vs tors. theta energy: -43.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -365.932621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.932621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.932621 (E_RNA)
where:
Base-Base interactions energy: -219.549
where: short stacking energy: -108.035
Base-Backbone interact. energy: 0.132
local terms energy: -146.514916
where:
bonds (distance) C4'-P energy: -33.780
bonds (distance) P-C4' energy: -31.727
flat angles C4'-P-C4' energy: -32.749
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -32.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -284.576166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.576166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.576166 (E_RNA)
where:
Base-Base interactions energy: -164.501
where: short stacking energy: -82.111
Base-Backbone interact. energy: -2.892
local terms energy: -117.182302
where:
bonds (distance) C4'-P energy: -33.506
bonds (distance) P-C4' energy: -27.643
flat angles C4'-P-C4' energy: -33.809
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -8.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -178.739175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.739175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.739175 (E_RNA)
where:
Base-Base interactions energy: -75.804
where: short stacking energy: -51.550
Base-Backbone interact. energy: -0.675
local terms energy: -102.260190
where:
bonds (distance) C4'-P energy: -30.088
bonds (distance) P-C4' energy: -32.712
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: 2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -204.557389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.557389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.557389 (E_RNA)
where:
Base-Base interactions energy: -81.571
where: short stacking energy: -40.594
Base-Backbone interact. energy: -0.976
local terms energy: -122.010429
where:
bonds (distance) C4'-P energy: -31.753
bonds (distance) P-C4' energy: -37.610
flat angles C4'-P-C4' energy: -26.401
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -157.733201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.733201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.733201 (E_RNA)
where:
Base-Base interactions energy: -40.780
where: short stacking energy: -34.850
Base-Backbone interact. energy: -0.558
local terms energy: -116.395621
where:
bonds (distance) C4'-P energy: -32.099
bonds (distance) P-C4' energy: -34.028
flat angles C4'-P-C4' energy: -30.733
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -6.056
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: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -157.165255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.165255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.165255 (E_RNA)
where:
Base-Base interactions energy: -45.811
where: short stacking energy: -43.863
Base-Backbone interact. energy: -0.687
local terms energy: -110.667326
where:
bonds (distance) C4'-P energy: -36.433
bonds (distance) P-C4' energy: -30.934
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -6.379
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: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -559.200766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.200766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.200766 (E_RNA)
where:
Base-Base interactions energy: -385.963
where: short stacking energy: -159.581
Base-Backbone interact. energy: -0.300
local terms energy: -172.937812
where:
bonds (distance) C4'-P energy: -32.217
bonds (distance) P-C4' energy: -35.844
flat angles C4'-P-C4' energy: -35.972
flat angles P-C4'-P energy: -19.752
tors. eta vs tors. theta energy: -49.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -522.377739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.377739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.377739 (E_RNA)
where:
Base-Base interactions energy: -356.141
where: short stacking energy: -147.843
Base-Backbone interact. energy: -0.433
local terms energy: -165.802858
where:
bonds (distance) C4'-P energy: -28.832
bonds (distance) P-C4' energy: -37.621
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -19.409
tors. eta vs tors. theta energy: -47.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -467.772278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.772278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.772278 (E_RNA)
where:
Base-Base interactions energy: -303.199
where: short stacking energy: -126.860
Base-Backbone interact. energy: -0.853
local terms energy: -163.720041
where:
bonds (distance) C4'-P energy: -31.037
bonds (distance) P-C4' energy: -36.855
flat angles C4'-P-C4' energy: -34.739
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -37.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -436.808846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.808846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.808846 (E_RNA)
where:
Base-Base interactions energy: -271.854
where: short stacking energy: -129.866
Base-Backbone interact. energy: 3.280
local terms energy: -168.235186
where:
bonds (distance) C4'-P energy: -35.474
bonds (distance) P-C4' energy: -33.322
flat angles C4'-P-C4' energy: -35.926
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -40.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -406.769770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.769770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.769770 (E_RNA)
where:
Base-Base interactions energy: -253.037
where: short stacking energy: -111.428
Base-Backbone interact. energy: -1.519
local terms energy: -152.213922
where:
bonds (distance) C4'-P energy: -30.207
bonds (distance) P-C4' energy: -30.660
flat angles C4'-P-C4' energy: -31.630
flat angles P-C4'-P energy: -27.239
tors. eta vs tors. theta energy: -32.478
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: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -269.002886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.002886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.002886 (E_RNA)
where:
Base-Base interactions energy: -145.921
where: short stacking energy: -73.616
Base-Backbone interact. energy: 0.987
local terms energy: -124.068896
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -36.991
flat angles C4'-P-C4' energy: -29.286
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -207.504754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.504754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.504754 (E_RNA)
where:
Base-Base interactions energy: -89.858
where: short stacking energy: -60.189
Base-Backbone interact. energy: -0.340
local terms energy: -117.305926
where:
bonds (distance) C4'-P energy: -31.094
bonds (distance) P-C4' energy: -28.691
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -22.697
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: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -162.651124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.651124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.651124 (E_RNA)
where:
Base-Base interactions energy: -60.876
where: short stacking energy: -27.047
Base-Backbone interact. energy: 1.122
local terms energy: -102.897425
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -33.474
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: 5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -153.711017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.711017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.711017 (E_RNA)
where:
Base-Base interactions energy: -37.372
where: short stacking energy: -29.211
Base-Backbone interact. energy: -1.241
local terms energy: -115.097361
where:
bonds (distance) C4'-P energy: -33.834
bonds (distance) P-C4' energy: -35.729
flat angles C4'-P-C4' energy: -25.025
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: 2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -154.788385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.788385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.788385 (E_RNA)
where:
Base-Base interactions energy: -53.419
where: short stacking energy: -31.552
Base-Backbone interact. energy: 0.628
local terms energy: -101.997765
where:
bonds (distance) C4'-P energy: -29.901
bonds (distance) P-C4' energy: -37.519
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: 2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -571.945304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.945304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.945304 (E_RNA)
where:
Base-Base interactions energy: -388.270
where: short stacking energy: -167.320
Base-Backbone interact. energy: -0.671
local terms energy: -183.003660
where:
bonds (distance) C4'-P energy: -34.047
bonds (distance) P-C4' energy: -39.071
flat angles C4'-P-C4' energy: -38.477
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -49.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -524.268100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.268100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.268100 (E_RNA)
where:
Base-Base interactions energy: -359.020
where: short stacking energy: -141.753
Base-Backbone interact. energy: 0.349
local terms energy: -165.597206
where:
bonds (distance) C4'-P energy: -34.174
bonds (distance) P-C4' energy: -31.283
flat angles C4'-P-C4' energy: -31.520
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -47.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -508.136722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.136722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.136722 (E_RNA)
where:
Base-Base interactions energy: -348.326
where: short stacking energy: -143.263
Base-Backbone interact. energy: -1.074
local terms energy: -158.736181
where:
bonds (distance) C4'-P energy: -29.003
bonds (distance) P-C4' energy: -36.659
flat angles C4'-P-C4' energy: -32.521
flat angles P-C4'-P energy: -18.991
tors. eta vs tors. theta energy: -41.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -388.563110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.563110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.563110 (E_RNA)
where:
Base-Base interactions energy: -249.335
where: short stacking energy: -110.343
Base-Backbone interact. energy: -0.260
local terms energy: -138.968085
where:
bonds (distance) C4'-P energy: -29.823
bonds (distance) P-C4' energy: -33.119
flat angles C4'-P-C4' energy: -26.786
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -33.554
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: 223
Temperature: 1.100000
Total energy: -384.423906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.423906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.423906 (E_RNA)
where:
Base-Base interactions energy: -241.002
where: short stacking energy: -129.247
Base-Backbone interact. energy: -1.027
local terms energy: -142.394616
where:
bonds (distance) C4'-P energy: -28.295
bonds (distance) P-C4' energy: -27.699
flat angles C4'-P-C4' energy: -32.011
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -30.902
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: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -275.322477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.322477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.322477 (E_RNA)
where:
Base-Base interactions energy: -164.690
where: short stacking energy: -74.358
Base-Backbone interact. energy: -0.424
local terms energy: -110.208310
where:
bonds (distance) C4'-P energy: -24.112
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -26.510
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -12.542
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: 223
Temperature: 1.200000
Total energy: -227.589550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.589550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.589550 (E_RNA)
where:
Base-Base interactions energy: -121.462
where: short stacking energy: -68.632
Base-Backbone interact. energy: -0.139
local terms energy: -105.988332
where:
bonds (distance) C4'-P energy: -23.347
bonds (distance) P-C4' energy: -32.736
flat angles C4'-P-C4' energy: -26.251
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -170.914539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.914539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.914539 (E_RNA)
where:
Base-Base interactions energy: -63.011
where: short stacking energy: -55.044
Base-Backbone interact. energy: -0.195
local terms energy: -107.708923
where:
bonds (distance) C4'-P energy: -34.104
bonds (distance) P-C4' energy: -24.827
flat angles C4'-P-C4' energy: -28.278
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -173.063859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.063859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.063859 (E_RNA)
where:
Base-Base interactions energy: -53.150
where: short stacking energy: -50.214
Base-Backbone interact. energy: 5.256
local terms energy: -125.169453
where:
bonds (distance) C4'-P energy: -33.731
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -30.039
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -9.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -139.724124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.724124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.724124 (E_RNA)
where:
Base-Base interactions energy: -25.024
where: short stacking energy: -17.489
Base-Backbone interact. energy: -3.840
local terms energy: -110.859792
where:
bonds (distance) C4'-P energy: -38.242
bonds (distance) P-C4' energy: -32.619
flat angles C4'-P-C4' energy: -34.072
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: 9.823
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: 224
Temperature: 0.900000
Total energy: -562.395088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.395088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.395088 (E_RNA)
where:
Base-Base interactions energy: -368.154
where: short stacking energy: -164.097
Base-Backbone interact. energy: 0.007
local terms energy: -194.248217
where:
bonds (distance) C4'-P energy: -35.706
bonds (distance) P-C4' energy: -35.016
flat angles C4'-P-C4' energy: -41.666
flat angles P-C4'-P energy: -27.573
tors. eta vs tors. theta energy: -54.287
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: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -527.661841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.661841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.661841 (E_RNA)
where:
Base-Base interactions energy: -341.913
where: short stacking energy: -159.553
Base-Backbone interact. energy: -0.498
local terms energy: -185.250176
where:
bonds (distance) C4'-P energy: -35.501
bonds (distance) P-C4' energy: -35.750
flat angles C4'-P-C4' energy: -35.583
flat angles P-C4'-P energy: -26.097
tors. eta vs tors. theta energy: -52.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -508.241698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.241698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.241698 (E_RNA)
where:
Base-Base interactions energy: -339.062
where: short stacking energy: -136.666
Base-Backbone interact. energy: -0.995
local terms energy: -168.184399
where:
bonds (distance) C4'-P energy: -37.328
bonds (distance) P-C4' energy: -29.621
flat angles C4'-P-C4' energy: -34.860
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -47.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -374.728443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.728443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.728443 (E_RNA)
where:
Base-Base interactions energy: -224.223
where: short stacking energy: -109.036
Base-Backbone interact. energy: -0.824
local terms energy: -149.681409
where:
bonds (distance) C4'-P energy: -33.413
bonds (distance) P-C4' energy: -30.145
flat angles C4'-P-C4' energy: -31.720
flat angles P-C4'-P energy: -23.671
tors. eta vs tors. theta energy: -30.732
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: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -450.050082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.050082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.050082 (E_RNA)
where:
Base-Base interactions energy: -281.241
where: short stacking energy: -139.530
Base-Backbone interact. energy: -0.149
local terms energy: -168.659838
where:
bonds (distance) C4'-P energy: -36.630
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -32.439
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -48.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -281.299303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.299303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.299303 (E_RNA)
where:
Base-Base interactions energy: -142.615
where: short stacking energy: -88.826
Base-Backbone interact. energy: -1.866
local terms energy: -136.817597
where:
bonds (distance) C4'-P energy: -32.712
bonds (distance) P-C4' energy: -30.526
flat angles C4'-P-C4' energy: -29.932
flat angles P-C4'-P energy: -26.538
tors. eta vs tors. theta energy: -17.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -182.748942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.748942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.748942 (E_RNA)
where:
Base-Base interactions energy: -80.741
where: short stacking energy: -53.143
Base-Backbone interact. energy: 0.592
local terms energy: -102.600267
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -6.653
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: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -172.823334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.823334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.823334 (E_RNA)
where:
Base-Base interactions energy: -59.822
where: short stacking energy: -34.113
Base-Backbone interact. energy: -0.296
local terms energy: -112.705012
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -29.201
flat angles C4'-P-C4' energy: -33.214
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: 0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -160.543423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.543423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.543423 (E_RNA)
where:
Base-Base interactions energy: -62.277
where: short stacking energy: -37.036
Base-Backbone interact. energy: -0.484
local terms energy: -97.781926
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -31.352
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: 3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -147.059910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.059910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.059910 (E_RNA)
where:
Base-Base interactions energy: -38.716
where: short stacking energy: -31.948
Base-Backbone interact. energy: -0.471
local terms energy: -107.872932
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -37.562
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -25.529
tors. eta vs tors. theta energy: 7.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -575.473851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.473851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.473851 (E_RNA)
where:
Base-Base interactions energy: -382.726
where: short stacking energy: -157.243
Base-Backbone interact. energy: -0.036
local terms energy: -192.711353
where:
bonds (distance) C4'-P energy: -40.245
bonds (distance) P-C4' energy: -39.818
flat angles C4'-P-C4' energy: -34.691
flat angles P-C4'-P energy: -25.483
tors. eta vs tors. theta energy: -52.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -544.733463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.733463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.733463 (E_RNA)
where:
Base-Base interactions energy: -362.346
where: short stacking energy: -150.977
Base-Backbone interact. energy: -0.738
local terms energy: -181.648658
where:
bonds (distance) C4'-P energy: -35.033
bonds (distance) P-C4' energy: -36.225
flat angles C4'-P-C4' energy: -36.238
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -48.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -513.691311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.691311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.691311 (E_RNA)
where:
Base-Base interactions energy: -346.831
where: short stacking energy: -148.490
Base-Backbone interact. energy: -0.841
local terms energy: -166.018882
where:
bonds (distance) C4'-P energy: -24.839
bonds (distance) P-C4' energy: -35.831
flat angles C4'-P-C4' energy: -33.970
flat angles P-C4'-P energy: -28.313
tors. eta vs tors. theta energy: -43.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -475.229402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.229402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.229402 (E_RNA)
where:
Base-Base interactions energy: -290.015
where: short stacking energy: -142.916
Base-Backbone interact. energy: 0.307
local terms energy: -185.521452
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -40.439
flat angles C4'-P-C4' energy: -36.409
flat angles P-C4'-P energy: -27.892
tors. eta vs tors. theta energy: -49.911
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: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -399.066512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.066512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.066512 (E_RNA)
where:
Base-Base interactions energy: -240.912
where: short stacking energy: -114.197
Base-Backbone interact. energy: -0.485
local terms energy: -157.668708
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -37.197
flat angles C4'-P-C4' energy: -35.827
flat angles P-C4'-P energy: -21.314
tors. eta vs tors. theta energy: -32.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -298.107866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.107866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.107866 (E_RNA)
where:
Base-Base interactions energy: -157.899
where: short stacking energy: -90.033
Base-Backbone interact. energy: -0.719
local terms energy: -139.489766
where:
bonds (distance) C4'-P energy: -34.323
bonds (distance) P-C4' energy: -36.189
flat angles C4'-P-C4' energy: -32.831
flat angles P-C4'-P energy: -22.200
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -226.932684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.932684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.932684 (E_RNA)
where:
Base-Base interactions energy: -122.397
where: short stacking energy: -75.932
Base-Backbone interact. energy: -1.788
local terms energy: -102.747334
where:
bonds (distance) C4'-P energy: -30.711
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -10.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -165.758979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.758979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.758979 (E_RNA)
where:
Base-Base interactions energy: -61.362
where: short stacking energy: -41.259
Base-Backbone interact. energy: -0.625
local terms energy: -103.772077
where:
bonds (distance) C4'-P energy: -27.802
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -190.212876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.212876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.212876 (E_RNA)
where:
Base-Base interactions energy: -80.574
where: short stacking energy: -61.528
Base-Backbone interact. energy: -0.402
local terms energy: -109.236695
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -171.814997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.814997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.814997 (E_RNA)
where:
Base-Base interactions energy: -64.185
where: short stacking energy: -41.780
Base-Backbone interact. energy: -1.095
local terms energy: -106.534748
where:
bonds (distance) C4'-P energy: -34.853
bonds (distance) P-C4' energy: -37.236
flat angles C4'-P-C4' energy: -22.927
flat angles P-C4'-P energy: -13.246
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: 226
Temperature: 0.900000
Total energy: -576.798494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.798494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.798494 (E_RNA)
where:
Base-Base interactions energy: -385.618
where: short stacking energy: -160.888
Base-Backbone interact. energy: -0.101
local terms energy: -191.079476
where:
bonds (distance) C4'-P energy: -36.118
bonds (distance) P-C4' energy: -39.225
flat angles C4'-P-C4' energy: -41.523
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -52.677
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: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -519.692586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.692586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.692586 (E_RNA)
where:
Base-Base interactions energy: -341.803
where: short stacking energy: -164.995
Base-Backbone interact. energy: -1.495
local terms energy: -176.394326
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -39.238
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: -47.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -483.523583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.523583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.523583 (E_RNA)
where:
Base-Base interactions energy: -305.399
where: short stacking energy: -157.961
Base-Backbone interact. energy: -1.251
local terms energy: -176.873004
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -39.390
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -26.253
tors. eta vs tors. theta energy: -51.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -491.560587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.560587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.560587 (E_RNA)
where:
Base-Base interactions energy: -318.515
where: short stacking energy: -132.903
Base-Backbone interact. energy: -2.992
local terms energy: -170.052971
where:
bonds (distance) C4'-P energy: -33.853
bonds (distance) P-C4' energy: -30.738
flat angles C4'-P-C4' energy: -38.412
flat angles P-C4'-P energy: -23.367
tors. eta vs tors. theta energy: -43.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -398.914597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.914597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.914597 (E_RNA)
where:
Base-Base interactions energy: -244.911
where: short stacking energy: -120.576
Base-Backbone interact. energy: -0.220
local terms energy: -153.783386
where:
bonds (distance) C4'-P energy: -33.222
bonds (distance) P-C4' energy: -31.595
flat angles C4'-P-C4' energy: -34.936
flat angles P-C4'-P energy: -25.464
tors. eta vs tors. theta energy: -28.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -294.441424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.441424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.441424 (E_RNA)
where:
Base-Base interactions energy: -152.438
where: short stacking energy: -88.686
Base-Backbone interact. energy: -0.927
local terms energy: -141.076111
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -37.594
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -19.378
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: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -271.538436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.538436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.538436 (E_RNA)
where:
Base-Base interactions energy: -152.975
where: short stacking energy: -78.857
Base-Backbone interact. energy: -1.045
local terms energy: -117.517996
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -26.193
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -13.942
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: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -160.452948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.452948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.452948 (E_RNA)
where:
Base-Base interactions energy: -54.578
where: short stacking energy: -42.893
Base-Backbone interact. energy: -0.694
local terms energy: -105.180147
where:
bonds (distance) C4'-P energy: -32.933
bonds (distance) P-C4' energy: -35.834
flat angles C4'-P-C4' energy: -27.471
flat angles P-C4'-P energy: -13.058
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: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -161.226079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.226079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.226079 (E_RNA)
where:
Base-Base interactions energy: -51.936
where: short stacking energy: -33.385
Base-Backbone interact. energy: 1.503
local terms energy: -110.792508
where:
bonds (distance) C4'-P energy: -33.218
bonds (distance) P-C4' energy: -41.100
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: 13.497
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: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -166.171101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.171101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.171101 (E_RNA)
where:
Base-Base interactions energy: -53.766
where: short stacking energy: -50.715
Base-Backbone interact. energy: -0.335
local terms energy: -112.070073
where:
bonds (distance) C4'-P energy: -32.724
bonds (distance) P-C4' energy: -29.179
flat angles C4'-P-C4' energy: -25.993
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -574.879450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.879450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.879450 (E_RNA)
where:
Base-Base interactions energy: -390.765
where: short stacking energy: -167.047
Base-Backbone interact. energy: -0.146
local terms energy: -183.968931
where:
bonds (distance) C4'-P energy: -31.901
bonds (distance) P-C4' energy: -34.794
flat angles C4'-P-C4' energy: -41.299
flat angles P-C4'-P energy: -21.027
tors. eta vs tors. theta energy: -54.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -523.063079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.063079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.063079 (E_RNA)
where:
Base-Base interactions energy: -340.670
where: short stacking energy: -166.593
Base-Backbone interact. energy: -0.016
local terms energy: -182.376775
where:
bonds (distance) C4'-P energy: -34.812
bonds (distance) P-C4' energy: -32.044
flat angles C4'-P-C4' energy: -36.320
flat angles P-C4'-P energy: -24.608
tors. eta vs tors. theta energy: -54.593
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: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -507.359325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.359325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.359325 (E_RNA)
where:
Base-Base interactions energy: -333.303
where: short stacking energy: -137.995
Base-Backbone interact. energy: -0.486
local terms energy: -173.570199
where:
bonds (distance) C4'-P energy: -30.087
bonds (distance) P-C4' energy: -36.887
flat angles C4'-P-C4' energy: -39.539
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: -44.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -476.581750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.581750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.581750 (E_RNA)
where:
Base-Base interactions energy: -309.779
where: short stacking energy: -117.151
Base-Backbone interact. energy: -0.398
local terms energy: -166.404715
where:
bonds (distance) C4'-P energy: -37.212
bonds (distance) P-C4' energy: -33.950
flat angles C4'-P-C4' energy: -35.656
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -40.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -392.575545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.575545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.575545 (E_RNA)
where:
Base-Base interactions energy: -242.423
where: short stacking energy: -111.064
Base-Backbone interact. energy: -0.097
local terms energy: -150.055575
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -32.222
flat angles P-C4'-P energy: -21.056
tors. eta vs tors. theta energy: -27.028
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: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -293.899610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.899610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.899610 (E_RNA)
where:
Base-Base interactions energy: -165.463
where: short stacking energy: -67.425
Base-Backbone interact. energy: -2.365
local terms energy: -126.072040
where:
bonds (distance) C4'-P energy: -36.951
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -33.286
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -312.481973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.481973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.481973 (E_RNA)
where:
Base-Base interactions energy: -186.725
where: short stacking energy: -87.375
Base-Backbone interact. energy: -0.553
local terms energy: -125.203632
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -28.778
flat angles C4'-P-C4' energy: -24.664
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -30.356
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: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -189.217172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.217172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.217172 (E_RNA)
where:
Base-Base interactions energy: -72.383
where: short stacking energy: -57.681
Base-Backbone interact. energy: 0.624
local terms energy: -117.458641
where:
bonds (distance) C4'-P energy: -33.302
bonds (distance) P-C4' energy: -38.610
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -168.723950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.723950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.723950 (E_RNA)
where:
Base-Base interactions energy: -68.805
where: short stacking energy: -50.799
Base-Backbone interact. energy: 0.596
local terms energy: -100.515142
where:
bonds (distance) C4'-P energy: -30.587
bonds (distance) P-C4' energy: -25.031
flat angles C4'-P-C4' energy: -34.350
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: 3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -137.444720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.444720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.444720 (E_RNA)
where:
Base-Base interactions energy: -51.267
where: short stacking energy: -36.637
Base-Backbone interact. energy: 0.859
local terms energy: -87.036587
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -29.194
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: 3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -570.309592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.309592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.309592 (E_RNA)
where:
Base-Base interactions energy: -384.746
where: short stacking energy: -166.026
Base-Backbone interact. energy: -1.049
local terms energy: -184.514521
where:
bonds (distance) C4'-P energy: -30.954
bonds (distance) P-C4' energy: -33.608
flat angles C4'-P-C4' energy: -39.641
flat angles P-C4'-P energy: -27.394
tors. eta vs tors. theta energy: -52.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -514.932920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.932920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.932920 (E_RNA)
where:
Base-Base interactions energy: -328.106
where: short stacking energy: -160.715
Base-Backbone interact. energy: -0.091
local terms energy: -186.735818
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -38.359
flat angles C4'-P-C4' energy: -40.666
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -56.290
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: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -499.998074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.998074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.998074 (E_RNA)
where:
Base-Base interactions energy: -331.138
where: short stacking energy: -140.841
Base-Backbone interact. energy: -0.395
local terms energy: -168.465163
where:
bonds (distance) C4'-P energy: -28.691
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -39.332
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -43.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -490.499635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.499635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.499635 (E_RNA)
where:
Base-Base interactions energy: -327.909
where: short stacking energy: -143.009
Base-Backbone interact. energy: -0.627
local terms energy: -161.963932
where:
bonds (distance) C4'-P energy: -32.255
bonds (distance) P-C4' energy: -34.544
flat angles C4'-P-C4' energy: -35.182
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -45.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -404.157183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.157183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.157183 (E_RNA)
where:
Base-Base interactions energy: -239.962
where: short stacking energy: -110.715
Base-Backbone interact. energy: 0.349
local terms energy: -164.543690
where:
bonds (distance) C4'-P energy: -34.675
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -40.138
flat angles P-C4'-P energy: -23.537
tors. eta vs tors. theta energy: -33.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -271.909616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.909616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.909616 (E_RNA)
where:
Base-Base interactions energy: -157.185
where: short stacking energy: -77.739
Base-Backbone interact. energy: -0.681
local terms energy: -114.043256
where:
bonds (distance) C4'-P energy: -37.865
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -328.958716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.958716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.958716 (E_RNA)
where:
Base-Base interactions energy: -189.736
where: short stacking energy: -93.788
Base-Backbone interact. energy: -0.184
local terms energy: -139.038623
where:
bonds (distance) C4'-P energy: -29.151
bonds (distance) P-C4' energy: -32.471
flat angles C4'-P-C4' energy: -29.763
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -30.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -158.927103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.927103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.927103 (E_RNA)
where:
Base-Base interactions energy: -63.311
where: short stacking energy: -43.832
Base-Backbone interact. energy: -0.376
local terms energy: -95.240840
where:
bonds (distance) C4'-P energy: -31.476
bonds (distance) P-C4' energy: -33.610
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: 3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -166.662368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.662368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.662368 (E_RNA)
where:
Base-Base interactions energy: -57.748
where: short stacking energy: -52.829
Base-Backbone interact. energy: -0.533
local terms energy: -108.380738
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -30.888
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -4.989
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: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -142.886575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.886575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.886575 (E_RNA)
where:
Base-Base interactions energy: -46.530
where: short stacking energy: -40.605
Base-Backbone interact. energy: -0.756
local terms energy: -95.600578
where:
bonds (distance) C4'-P energy: -33.983
bonds (distance) P-C4' energy: -32.525
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: 7.853
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: 229
Temperature: 0.900000
Total energy: -572.047453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.047453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.047453 (E_RNA)
where:
Base-Base interactions energy: -383.567
where: short stacking energy: -164.043
Base-Backbone interact. energy: -1.064
local terms energy: -187.415953
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -39.649
flat angles P-C4'-P energy: -28.342
tors. eta vs tors. theta energy: -55.914
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: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -520.681856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.681856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.681856 (E_RNA)
where:
Base-Base interactions energy: -341.644
where: short stacking energy: -155.798
Base-Backbone interact. energy: -1.518
local terms energy: -177.520402
where:
bonds (distance) C4'-P energy: -36.192
bonds (distance) P-C4' energy: -38.299
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -21.703
tors. eta vs tors. theta energy: -46.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -510.793969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.793969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.793969 (E_RNA)
where:
Base-Base interactions energy: -319.502
where: short stacking energy: -160.552
Base-Backbone interact. energy: -0.909
local terms energy: -190.382837
where:
bonds (distance) C4'-P energy: -33.051
bonds (distance) P-C4' energy: -34.370
flat angles C4'-P-C4' energy: -38.910
flat angles P-C4'-P energy: -24.809
tors. eta vs tors. theta energy: -59.243
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: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -478.648506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.648506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.648506 (E_RNA)
where:
Base-Base interactions energy: -327.098
where: short stacking energy: -133.477
Base-Backbone interact. energy: 1.063
local terms energy: -152.613560
where:
bonds (distance) C4'-P energy: -33.307
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -49.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -405.367994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.367994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.367994 (E_RNA)
where:
Base-Base interactions energy: -254.869
where: short stacking energy: -116.325
Base-Backbone interact. energy: 1.039
local terms energy: -151.538304
where:
bonds (distance) C4'-P energy: -26.728
bonds (distance) P-C4' energy: -33.366
flat angles C4'-P-C4' energy: -36.920
flat angles P-C4'-P energy: -20.355
tors. eta vs tors. theta energy: -34.169
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: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -332.131944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.131944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.131944 (E_RNA)
where:
Base-Base interactions energy: -198.835
where: short stacking energy: -93.466
Base-Backbone interact. energy: 3.029
local terms energy: -136.326040
where:
bonds (distance) C4'-P energy: -29.777
bonds (distance) P-C4' energy: -30.613
flat angles C4'-P-C4' energy: -37.402
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -247.897454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.897454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.897454 (E_RNA)
where:
Base-Base interactions energy: -120.883
where: short stacking energy: -75.978
Base-Backbone interact. energy: -1.140
local terms energy: -125.875339
where:
bonds (distance) C4'-P energy: -37.514
bonds (distance) P-C4' energy: -35.408
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -162.790936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.790936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.790936 (E_RNA)
where:
Base-Base interactions energy: -54.241
where: short stacking energy: -52.255
Base-Backbone interact. energy: -0.176
local terms energy: -108.374160
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -34.415
flat angles C4'-P-C4' energy: -31.763
flat angles P-C4'-P energy: -16.894
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: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -165.451242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.451242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.451242 (E_RNA)
where:
Base-Base interactions energy: -71.660
where: short stacking energy: -35.364
Base-Backbone interact. energy: -0.571
local terms energy: -93.219882
where:
bonds (distance) C4'-P energy: -34.627
bonds (distance) P-C4' energy: -35.182
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -8.336
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: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -142.983516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.983516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.983516 (E_RNA)
where:
Base-Base interactions energy: -43.975
where: short stacking energy: -35.800
Base-Backbone interact. energy: -0.148
local terms energy: -98.859943
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -30.783
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -557.008522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.008522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.008522 (E_RNA)
where:
Base-Base interactions energy: -368.892
where: short stacking energy: -161.890
Base-Backbone interact. energy: -0.208
local terms energy: -187.908861
where:
bonds (distance) C4'-P energy: -26.280
bonds (distance) P-C4' energy: -34.141
flat angles C4'-P-C4' energy: -42.590
flat angles P-C4'-P energy: -28.307
tors. eta vs tors. theta energy: -56.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -530.961764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.961764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.961764 (E_RNA)
where:
Base-Base interactions energy: -350.698
where: short stacking energy: -141.218
Base-Backbone interact. energy: -0.681
local terms energy: -179.583549
where:
bonds (distance) C4'-P energy: -36.206
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -36.973
flat angles P-C4'-P energy: -32.871
tors. eta vs tors. theta energy: -38.806
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: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -494.973977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.973977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.973977 (E_RNA)
where:
Base-Base interactions energy: -335.145
where: short stacking energy: -126.228
Base-Backbone interact. energy: -0.839
local terms energy: -158.989483
where:
bonds (distance) C4'-P energy: -28.662
bonds (distance) P-C4' energy: -37.113
flat angles C4'-P-C4' energy: -31.291
flat angles P-C4'-P energy: -23.689
tors. eta vs tors. theta energy: -38.236
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: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -494.099551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.099551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.099551 (E_RNA)
where:
Base-Base interactions energy: -306.480
where: short stacking energy: -146.256
Base-Backbone interact. energy: -0.583
local terms energy: -187.037120
where:
bonds (distance) C4'-P energy: -32.769
bonds (distance) P-C4' energy: -35.246
flat angles C4'-P-C4' energy: -43.600
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -56.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -399.451414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.451414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.451414 (E_RNA)
where:
Base-Base interactions energy: -241.514
where: short stacking energy: -110.122
Base-Backbone interact. energy: -0.154
local terms energy: -157.783864
where:
bonds (distance) C4'-P energy: -32.318
bonds (distance) P-C4' energy: -28.198
flat angles C4'-P-C4' energy: -41.063
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -32.491
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: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -332.123529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.123529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.123529 (E_RNA)
where:
Base-Base interactions energy: -193.636
where: short stacking energy: -102.181
Base-Backbone interact. energy: -0.332
local terms energy: -138.155275
where:
bonds (distance) C4'-P energy: -34.476
bonds (distance) P-C4' energy: -26.277
flat angles C4'-P-C4' energy: -27.548
flat angles P-C4'-P energy: -25.021
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: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -172.206108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.206108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.206108 (E_RNA)
where:
Base-Base interactions energy: -47.791
where: short stacking energy: -42.213
Base-Backbone interact. energy: -0.828
local terms energy: -123.586309
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -37.620
flat angles C4'-P-C4' energy: -28.548
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -165.823776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.823776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.823776 (E_RNA)
where:
Base-Base interactions energy: -66.454
where: short stacking energy: -37.851
Base-Backbone interact. energy: -0.673
local terms energy: -98.697171
where:
bonds (distance) C4'-P energy: -35.916
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -27.653
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: 4.531
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: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -156.614003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.614003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.614003 (E_RNA)
where:
Base-Base interactions energy: -49.550
where: short stacking energy: -45.914
Base-Backbone interact. energy: 0.736
local terms energy: -107.800751
where:
bonds (distance) C4'-P energy: -34.084
bonds (distance) P-C4' energy: -32.928
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: 0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -146.830150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.830150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.830150 (E_RNA)
where:
Base-Base interactions energy: -48.246
where: short stacking energy: -37.873
Base-Backbone interact. energy: -0.140
local terms energy: -98.443754
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -26.496
flat angles C4'-P-C4' energy: -28.981
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: 4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -584.137070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.137070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.137070 (E_RNA)
where:
Base-Base interactions energy: -384.720
where: short stacking energy: -170.342
Base-Backbone interact. energy: 0.602
local terms energy: -200.019149
where:
bonds (distance) C4'-P energy: -37.324
bonds (distance) P-C4' energy: -37.831
flat angles C4'-P-C4' energy: -39.174
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -60.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -517.744952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.744952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.744952 (E_RNA)
where:
Base-Base interactions energy: -347.238
where: short stacking energy: -137.184
Base-Backbone interact. energy: -1.463
local terms energy: -169.043411
where:
bonds (distance) C4'-P energy: -30.007
bonds (distance) P-C4' energy: -38.963
flat angles C4'-P-C4' energy: -40.162
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -37.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -486.987747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.987747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.987747 (E_RNA)
where:
Base-Base interactions energy: -327.390
where: short stacking energy: -128.643
Base-Backbone interact. energy: 0.348
local terms energy: -159.946159
where:
bonds (distance) C4'-P energy: -32.470
bonds (distance) P-C4' energy: -30.721
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -46.575
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: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -497.339861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.339861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.339861 (E_RNA)
where:
Base-Base interactions energy: -321.157
where: short stacking energy: -155.636
Base-Backbone interact. energy: -0.036
local terms energy: -176.146684
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -38.136
flat angles C4'-P-C4' energy: -40.441
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -54.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -422.272320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.272320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.272320 (E_RNA)
where:
Base-Base interactions energy: -266.689
where: short stacking energy: -129.103
Base-Backbone interact. energy: -0.169
local terms energy: -155.414709
where:
bonds (distance) C4'-P energy: -31.858
bonds (distance) P-C4' energy: -32.530
flat angles C4'-P-C4' energy: -29.160
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -40.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -315.479963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.479963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.479963 (E_RNA)
where:
Base-Base interactions energy: -174.106
where: short stacking energy: -83.007
Base-Backbone interact. energy: -0.253
local terms energy: -141.120969
where:
bonds (distance) C4'-P energy: -40.097
bonds (distance) P-C4' energy: -31.527
flat angles C4'-P-C4' energy: -30.941
flat angles P-C4'-P energy: -20.308
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -178.119938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.119938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.119938 (E_RNA)
where:
Base-Base interactions energy: -73.637
where: short stacking energy: -54.181
Base-Backbone interact. energy: 2.288
local terms energy: -106.771258
where:
bonds (distance) C4'-P energy: -29.730
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -29.984
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -171.236462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.236462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.236462 (E_RNA)
where:
Base-Base interactions energy: -65.126
where: short stacking energy: -51.818
Base-Backbone interact. energy: 1.304
local terms energy: -107.414254
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -32.930
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -148.170864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.170864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.170864 (E_RNA)
where:
Base-Base interactions energy: -40.424
where: short stacking energy: -34.805
Base-Backbone interact. energy: -0.302
local terms energy: -107.445102
where:
bonds (distance) C4'-P energy: -30.044
bonds (distance) P-C4' energy: -32.539
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -21.584
tors. eta vs tors. theta energy: 1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -151.546960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.546960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.546960 (E_RNA)
where:
Base-Base interactions energy: -50.536
where: short stacking energy: -49.864
Base-Backbone interact. energy: -0.473
local terms energy: -100.537561
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -32.860
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -9.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -569.477831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.477831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.477831 (E_RNA)
where:
Base-Base interactions energy: -371.463
where: short stacking energy: -160.431
Base-Backbone interact. energy: -0.119
local terms energy: -197.895035
where:
bonds (distance) C4'-P energy: -35.876
bonds (distance) P-C4' energy: -36.186
flat angles C4'-P-C4' energy: -39.908
flat angles P-C4'-P energy: -32.066
tors. eta vs tors. theta energy: -53.859
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: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -526.731773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.731773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.731773 (E_RNA)
where:
Base-Base interactions energy: -354.080
where: short stacking energy: -138.300
Base-Backbone interact. energy: -1.347
local terms energy: -171.305451
where:
bonds (distance) C4'-P energy: -38.878
bonds (distance) P-C4' energy: -36.044
flat angles C4'-P-C4' energy: -39.044
flat angles P-C4'-P energy: -19.968
tors. eta vs tors. theta energy: -37.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -508.493909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.493909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.493909 (E_RNA)
where:
Base-Base interactions energy: -323.643
where: short stacking energy: -153.887
Base-Backbone interact. energy: -0.130
local terms energy: -184.720932
where:
bonds (distance) C4'-P energy: -33.828
bonds (distance) P-C4' energy: -36.987
flat angles C4'-P-C4' energy: -40.230
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -54.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -473.393147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.393147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.393147 (E_RNA)
where:
Base-Base interactions energy: -319.266
where: short stacking energy: -129.156
Base-Backbone interact. energy: -0.840
local terms energy: -153.287402
where:
bonds (distance) C4'-P energy: -32.688
bonds (distance) P-C4' energy: -30.078
flat angles C4'-P-C4' energy: -32.995
flat angles P-C4'-P energy: -20.033
tors. eta vs tors. theta energy: -37.494
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: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -416.834008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.834008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.834008 (E_RNA)
where:
Base-Base interactions energy: -260.793
where: short stacking energy: -110.808
Base-Backbone interact. energy: 0.373
local terms energy: -156.414082
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -33.914
flat angles C4'-P-C4' energy: -36.849
flat angles P-C4'-P energy: -28.327
tors. eta vs tors. theta energy: -35.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -297.928317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.928317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.928317 (E_RNA)
where:
Base-Base interactions energy: -165.239
where: short stacking energy: -89.381
Base-Backbone interact. energy: -0.215
local terms energy: -132.474153
where:
bonds (distance) C4'-P energy: -33.652
bonds (distance) P-C4' energy: -30.220
flat angles C4'-P-C4' energy: -34.124
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -184.931957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.931957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.931957 (E_RNA)
where:
Base-Base interactions energy: -70.163
where: short stacking energy: -45.725
Base-Backbone interact. energy: -0.248
local terms energy: -114.520526
where:
bonds (distance) C4'-P energy: -31.746
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -25.633
flat angles P-C4'-P energy: -21.431
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -156.156324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.156324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.156324 (E_RNA)
where:
Base-Base interactions energy: -50.861
where: short stacking energy: -37.969
Base-Backbone interact. energy: 0.313
local terms energy: -105.608714
where:
bonds (distance) C4'-P energy: -33.239
bonds (distance) P-C4' energy: -32.585
flat angles C4'-P-C4' energy: -29.742
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: 6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -169.738161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.738161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.738161 (E_RNA)
where:
Base-Base interactions energy: -66.457
where: short stacking energy: -59.416
Base-Backbone interact. energy: -0.279
local terms energy: -103.002981
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -30.564
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -5.555
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: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -156.155797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.155797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.155797 (E_RNA)
where:
Base-Base interactions energy: -60.461
where: short stacking energy: -32.429
Base-Backbone interact. energy: 1.129
local terms energy: -96.823296
where:
bonds (distance) C4'-P energy: -24.956
bonds (distance) P-C4' energy: -35.127
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: 6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -564.802288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.802288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.802288 (E_RNA)
where:
Base-Base interactions energy: -384.191
where: short stacking energy: -163.009
Base-Backbone interact. energy: -0.770
local terms energy: -179.841771
where:
bonds (distance) C4'-P energy: -31.549
bonds (distance) P-C4' energy: -35.994
flat angles C4'-P-C4' energy: -40.166
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -48.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -500.108564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.108564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.108564 (E_RNA)
where:
Base-Base interactions energy: -314.642
where: short stacking energy: -149.541
Base-Backbone interact. energy: -0.367
local terms energy: -185.100230
where:
bonds (distance) C4'-P energy: -32.260
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -38.002
flat angles P-C4'-P energy: -27.530
tors. eta vs tors. theta energy: -52.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -531.915013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.915013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.915013 (E_RNA)
where:
Base-Base interactions energy: -350.714
where: short stacking energy: -137.289
Base-Backbone interact. energy: -0.872
local terms energy: -180.329752
where:
bonds (distance) C4'-P energy: -37.543
bonds (distance) P-C4' energy: -41.877
flat angles C4'-P-C4' energy: -37.440
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -41.279
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: 1
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -443.156834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.156834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.156834 (E_RNA)
where:
Base-Base interactions energy: -261.414
where: short stacking energy: -130.043
Base-Backbone interact. energy: -0.554
local terms energy: -181.189327
where:
bonds (distance) C4'-P energy: -38.012
bonds (distance) P-C4' energy: -37.476
flat angles C4'-P-C4' energy: -39.004
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -42.741
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: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -425.126281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.126281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.126281 (E_RNA)
where:
Base-Base interactions energy: -287.210
where: short stacking energy: -106.995
Base-Backbone interact. energy: 2.536
local terms energy: -140.452342
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -30.084
flat angles C4'-P-C4' energy: -34.944
flat angles P-C4'-P energy: -21.179
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: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -274.850696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.850696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.850696 (E_RNA)
where:
Base-Base interactions energy: -145.895
where: short stacking energy: -68.888
Base-Backbone interact. energy: -1.201
local terms energy: -127.754944
where:
bonds (distance) C4'-P energy: -33.338
bonds (distance) P-C4' energy: -29.158
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -21.823
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -186.183830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.183830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.183830 (E_RNA)
where:
Base-Base interactions energy: -68.274
where: short stacking energy: -50.653
Base-Backbone interact. energy: -0.255
local terms energy: -117.655132
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -35.740
flat angles C4'-P-C4' energy: -27.607
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -168.035088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.035088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.035088 (E_RNA)
where:
Base-Base interactions energy: -63.410
where: short stacking energy: -63.231
Base-Backbone interact. energy: 0.518
local terms energy: -105.142983
where:
bonds (distance) C4'-P energy: -28.341
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -28.264
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -5.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -163.920842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.920842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.920842 (E_RNA)
where:
Base-Base interactions energy: -70.420
where: short stacking energy: -49.466
Base-Backbone interact. energy: -1.084
local terms energy: -92.417258
where:
bonds (distance) C4'-P energy: -27.913
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -23.712
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: 5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -155.038012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.038012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.038012 (E_RNA)
where:
Base-Base interactions energy: -59.196
where: short stacking energy: -34.692
Base-Backbone interact. energy: -0.118
local terms energy: -95.724532
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -34.137
flat angles C4'-P-C4' energy: -24.233
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: 0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -569.373488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.373488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.373488 (E_RNA)
where:
Base-Base interactions energy: -383.444
where: short stacking energy: -152.394
Base-Backbone interact. energy: -0.593
local terms energy: -185.336265
where:
bonds (distance) C4'-P energy: -34.403
bonds (distance) P-C4' energy: -34.881
flat angles C4'-P-C4' energy: -39.630
flat angles P-C4'-P energy: -24.738
tors. eta vs tors. theta energy: -51.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -524.155560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.155560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.155560 (E_RNA)
where:
Base-Base interactions energy: -343.557
where: short stacking energy: -170.638
Base-Backbone interact. energy: -0.097
local terms energy: -180.500974
where:
bonds (distance) C4'-P energy: -32.164
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -38.562
flat angles P-C4'-P energy: -25.151
tors. eta vs tors. theta energy: -54.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -524.794221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.794221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.794221 (E_RNA)
where:
Base-Base interactions energy: -368.917
where: short stacking energy: -134.790
Base-Backbone interact. energy: -0.439
local terms energy: -155.437810
where:
bonds (distance) C4'-P energy: -28.036
bonds (distance) P-C4' energy: -37.081
flat angles C4'-P-C4' energy: -32.603
flat angles P-C4'-P energy: -19.720
tors. eta vs tors. theta energy: -37.998
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: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -455.664898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.664898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.664898 (E_RNA)
where:
Base-Base interactions energy: -289.868
where: short stacking energy: -119.713
Base-Backbone interact. energy: -0.410
local terms energy: -165.386904
where:
bonds (distance) C4'-P energy: -36.202
bonds (distance) P-C4' energy: -30.392
flat angles C4'-P-C4' energy: -39.713
flat angles P-C4'-P energy: -23.782
tors. eta vs tors. theta energy: -35.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -436.200417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.200417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.200417 (E_RNA)
where:
Base-Base interactions energy: -287.705
where: short stacking energy: -117.876
Base-Backbone interact. energy: -0.284
local terms energy: -148.211202
where:
bonds (distance) C4'-P energy: -37.439
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -37.280
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -35.572
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: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -234.913965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.913965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.913965 (E_RNA)
where:
Base-Base interactions energy: -112.890
where: short stacking energy: -50.210
Base-Backbone interact. energy: -0.569
local terms energy: -121.455739
where:
bonds (distance) C4'-P energy: -34.253
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -26.486
flat angles P-C4'-P energy: -20.074
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -204.312032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.312032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.312032 (E_RNA)
where:
Base-Base interactions energy: -82.114
where: short stacking energy: -59.290
Base-Backbone interact. energy: -1.567
local terms energy: -120.630592
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -30.455
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -10.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -167.532212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.532212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.532212 (E_RNA)
where:
Base-Base interactions energy: -63.433
where: short stacking energy: -47.434
Base-Backbone interact. energy: -0.662
local terms energy: -103.437827
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -37.854
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -169.933365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.933365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.933365 (E_RNA)
where:
Base-Base interactions energy: -64.011
where: short stacking energy: -48.401
Base-Backbone interact. energy: 0.915
local terms energy: -106.838275
where:
bonds (distance) C4'-P energy: -25.056
bonds (distance) P-C4' energy: -33.520
flat angles C4'-P-C4' energy: -31.050
flat angles P-C4'-P energy: -18.312
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: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -143.256862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.256862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.256862 (E_RNA)
where:
Base-Base interactions energy: -38.624
where: short stacking energy: -36.512
Base-Backbone interact. energy: -0.486
local terms energy: -104.146734
where:
bonds (distance) C4'-P energy: -31.594
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: 0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -576.721609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.721609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.721609 (E_RNA)
where:
Base-Base interactions energy: -384.912
where: short stacking energy: -167.731
Base-Backbone interact. energy: -0.520
local terms energy: -191.289205
where:
bonds (distance) C4'-P energy: -33.160
bonds (distance) P-C4' energy: -37.314
flat angles C4'-P-C4' energy: -40.417
flat angles P-C4'-P energy: -28.114
tors. eta vs tors. theta energy: -52.284
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: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -538.387815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.387815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.387815 (E_RNA)
where:
Base-Base interactions energy: -343.025
where: short stacking energy: -172.866
Base-Backbone interact. energy: -0.089
local terms energy: -195.273667
where:
bonds (distance) C4'-P energy: -33.214
bonds (distance) P-C4' energy: -37.583
flat angles C4'-P-C4' energy: -38.817
flat angles P-C4'-P energy: -25.986
tors. eta vs tors. theta energy: -59.673
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: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -534.635411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.635411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.635411 (E_RNA)
where:
Base-Base interactions energy: -365.086
where: short stacking energy: -144.328
Base-Backbone interact. energy: -0.722
local terms energy: -168.827653
where:
bonds (distance) C4'-P energy: -30.919
bonds (distance) P-C4' energy: -29.270
flat angles C4'-P-C4' energy: -41.924
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -43.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -452.377107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.377107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.377107 (E_RNA)
where:
Base-Base interactions energy: -293.109
where: short stacking energy: -128.493
Base-Backbone interact. energy: -1.198
local terms energy: -158.069508
where:
bonds (distance) C4'-P energy: -30.646
bonds (distance) P-C4' energy: -35.474
flat angles C4'-P-C4' energy: -37.598
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -38.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -429.341522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.341522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.341522 (E_RNA)
where:
Base-Base interactions energy: -285.915
where: short stacking energy: -130.363
Base-Backbone interact. energy: -0.437
local terms energy: -142.989172
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -29.616
flat angles C4'-P-C4' energy: -34.976
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -31.886
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: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -221.413509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.413509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.413509 (E_RNA)
where:
Base-Base interactions energy: -113.930
where: short stacking energy: -70.524
Base-Backbone interact. energy: -1.140
local terms energy: -106.343671
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -29.846
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -199.286139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.286139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.286139 (E_RNA)
where:
Base-Base interactions energy: -96.312
where: short stacking energy: -56.795
Base-Backbone interact. energy: 0.034
local terms energy: -103.008460
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -24.476
tors. eta vs tors. theta energy: 1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -172.960672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.960672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.960672 (E_RNA)
where:
Base-Base interactions energy: -65.867
where: short stacking energy: -46.598
Base-Backbone interact. energy: -0.599
local terms energy: -106.494994
where:
bonds (distance) C4'-P energy: -31.333
bonds (distance) P-C4' energy: -34.103
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -6.180
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: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -175.740391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.740391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.740391 (E_RNA)
where:
Base-Base interactions energy: -65.011
where: short stacking energy: -47.118
Base-Backbone interact. energy: -0.381
local terms energy: -110.348012
where:
bonds (distance) C4'-P energy: -28.988
bonds (distance) P-C4' energy: -33.788
flat angles C4'-P-C4' energy: -28.449
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: 0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -167.784196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.784196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.784196 (E_RNA)
where:
Base-Base interactions energy: -85.610
where: short stacking energy: -55.547
Base-Backbone interact. energy: 0.040
local terms energy: -82.213722
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -565.791557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.791557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.791557 (E_RNA)
where:
Base-Base interactions energy: -383.930
where: short stacking energy: -159.047
Base-Backbone interact. energy: -0.759
local terms energy: -181.102220
where:
bonds (distance) C4'-P energy: -35.640
bonds (distance) P-C4' energy: -31.118
flat angles C4'-P-C4' energy: -35.360
flat angles P-C4'-P energy: -28.396
tors. eta vs tors. theta energy: -50.588
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: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -543.774747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.774747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.774747 (E_RNA)
where:
Base-Base interactions energy: -357.744
where: short stacking energy: -174.524
Base-Backbone interact. energy: -0.048
local terms energy: -185.982547
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -30.182
flat angles C4'-P-C4' energy: -43.684
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -58.777
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: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -511.416828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.416828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.416828 (E_RNA)
where:
Base-Base interactions energy: -348.067
where: short stacking energy: -146.164
Base-Backbone interact. energy: -0.419
local terms energy: -162.930224
where:
bonds (distance) C4'-P energy: -33.217
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -32.940
flat angles P-C4'-P energy: -28.229
tors. eta vs tors. theta energy: -39.405
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: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -448.447189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.447189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.447189 (E_RNA)
where:
Base-Base interactions energy: -279.751
where: short stacking energy: -120.607
Base-Backbone interact. energy: -0.134
local terms energy: -168.562414
where:
bonds (distance) C4'-P energy: -33.436
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -36.079
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -45.421
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: 236
Temperature: 1.100000
Total energy: -432.499523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.499523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.499523 (E_RNA)
where:
Base-Base interactions energy: -276.904
where: short stacking energy: -97.997
Base-Backbone interact. energy: -0.484
local terms energy: -155.110915
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -35.581
flat angles C4'-P-C4' energy: -37.525
flat angles P-C4'-P energy: -22.278
tors. eta vs tors. theta energy: -29.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -219.896068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.896068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.896068 (E_RNA)
where:
Base-Base interactions energy: -98.307
where: short stacking energy: -61.118
Base-Backbone interact. energy: -1.004
local terms energy: -120.585189
where:
bonds (distance) C4'-P energy: -29.582
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -31.857
flat angles P-C4'-P energy: -28.915
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: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -199.694712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.694712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.694712 (E_RNA)
where:
Base-Base interactions energy: -90.347
where: short stacking energy: -45.395
Base-Backbone interact. energy: -1.584
local terms energy: -107.763435
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -30.814
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -25.195
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: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -171.471716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.471716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.471716 (E_RNA)
where:
Base-Base interactions energy: -53.054
where: short stacking energy: -50.713
Base-Backbone interact. energy: 0.494
local terms energy: -118.911172
where:
bonds (distance) C4'-P energy: -32.851
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -162.247732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.247732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.247732 (E_RNA)
where:
Base-Base interactions energy: -66.162
where: short stacking energy: -42.129
Base-Backbone interact. energy: -0.448
local terms energy: -95.637018
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -29.870
flat angles C4'-P-C4' energy: -27.279
flat angles P-C4'-P energy: -21.285
tors. eta vs tors. theta energy: 5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -136.598797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.598797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.598797 (E_RNA)
where:
Base-Base interactions energy: -41.477
where: short stacking energy: -35.837
Base-Backbone interact. energy: -2.035
local terms energy: -93.086543
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -27.790
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: 0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -575.574702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.574702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.574702 (E_RNA)
where:
Base-Base interactions energy: -378.432
where: short stacking energy: -151.890
Base-Backbone interact. energy: -1.004
local terms energy: -196.139421
where:
bonds (distance) C4'-P energy: -38.036
bonds (distance) P-C4' energy: -42.024
flat angles C4'-P-C4' energy: -39.681
flat angles P-C4'-P energy: -26.037
tors. eta vs tors. theta energy: -50.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -551.687162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.687162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.687162 (E_RNA)
where:
Base-Base interactions energy: -354.483
where: short stacking energy: -152.799
Base-Backbone interact. energy: -0.497
local terms energy: -196.707120
where:
bonds (distance) C4'-P energy: -28.552
bonds (distance) P-C4' energy: -37.361
flat angles C4'-P-C4' energy: -43.243
flat angles P-C4'-P energy: -29.761
tors. eta vs tors. theta energy: -57.791
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: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -505.652459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.652459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.652459 (E_RNA)
where:
Base-Base interactions energy: -344.243
where: short stacking energy: -147.120
Base-Backbone interact. energy: -0.613
local terms energy: -160.795803
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -37.194
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -22.726
tors. eta vs tors. theta energy: -43.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -437.720890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.720890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.720890 (E_RNA)
where:
Base-Base interactions energy: -271.685
where: short stacking energy: -111.664
Base-Backbone interact. energy: 0.214
local terms energy: -166.249808
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -36.376
flat angles C4'-P-C4' energy: -33.133
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -34.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -417.552638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.552638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.552638 (E_RNA)
where:
Base-Base interactions energy: -259.366
where: short stacking energy: -121.058
Base-Backbone interact. energy: -0.107
local terms energy: -158.079132
where:
bonds (distance) C4'-P energy: -32.094
bonds (distance) P-C4' energy: -29.323
flat angles C4'-P-C4' energy: -32.927
flat angles P-C4'-P energy: -23.753
tors. eta vs tors. theta energy: -39.982
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: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -206.106655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.106655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.106655 (E_RNA)
where:
Base-Base interactions energy: -91.539
where: short stacking energy: -44.057
Base-Backbone interact. energy: 0.297
local terms energy: -114.865387
where:
bonds (distance) C4'-P energy: -35.809
bonds (distance) P-C4' energy: -29.449
flat angles C4'-P-C4' energy: -31.369
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -216.049950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.049950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.049950 (E_RNA)
where:
Base-Base interactions energy: -100.415
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.560
local terms energy: -115.074558
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -29.078
flat angles C4'-P-C4' energy: -28.690
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -202.503987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.503987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.503987 (E_RNA)
where:
Base-Base interactions energy: -87.715
where: short stacking energy: -62.741
Base-Backbone interact. energy: 2.582
local terms energy: -117.371312
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -33.231
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -173.614254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.614254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.614254 (E_RNA)
where:
Base-Base interactions energy: -75.605
where: short stacking energy: -44.778
Base-Backbone interact. energy: 0.797
local terms energy: -98.806142
where:
bonds (distance) C4'-P energy: -27.134
bonds (distance) P-C4' energy: -37.400
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -15.601
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: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -142.729528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.729528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.729528 (E_RNA)
where:
Base-Base interactions energy: -50.875
where: short stacking energy: -32.709
Base-Backbone interact. energy: 3.561
local terms energy: -95.415354
where:
bonds (distance) C4'-P energy: -30.810
bonds (distance) P-C4' energy: -36.606
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: 4.455
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: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -575.868373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.868373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.868373 (E_RNA)
where:
Base-Base interactions energy: -381.955
where: short stacking energy: -159.233
Base-Backbone interact. energy: -1.598
local terms energy: -192.315324
where:
bonds (distance) C4'-P energy: -33.690
bonds (distance) P-C4' energy: -39.407
flat angles C4'-P-C4' energy: -40.872
flat angles P-C4'-P energy: -30.205
tors. eta vs tors. theta energy: -48.140
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: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -537.694625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.694625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.694625 (E_RNA)
where:
Base-Base interactions energy: -335.882
where: short stacking energy: -164.720
Base-Backbone interact. energy: -0.137
local terms energy: -201.676271
where:
bonds (distance) C4'-P energy: -38.504
bonds (distance) P-C4' energy: -36.403
flat angles C4'-P-C4' energy: -38.693
flat angles P-C4'-P energy: -26.874
tors. eta vs tors. theta energy: -61.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -506.466586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.466586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.466586 (E_RNA)
where:
Base-Base interactions energy: -329.424
where: short stacking energy: -138.149
Base-Backbone interact. energy: -0.279
local terms energy: -176.763444
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -39.450
flat angles C4'-P-C4' energy: -36.500
flat angles P-C4'-P energy: -20.643
tors. eta vs tors. theta energy: -47.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -446.125077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.125077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.125077 (E_RNA)
where:
Base-Base interactions energy: -282.651
where: short stacking energy: -116.282
Base-Backbone interact. energy: -0.964
local terms energy: -162.509452
where:
bonds (distance) C4'-P energy: -32.729
bonds (distance) P-C4' energy: -34.609
flat angles C4'-P-C4' energy: -33.447
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -38.591
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: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -406.424223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.424223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.424223 (E_RNA)
where:
Base-Base interactions energy: -242.870
where: short stacking energy: -107.170
Base-Backbone interact. energy: 0.277
local terms energy: -163.831521
where:
bonds (distance) C4'-P energy: -33.148
bonds (distance) P-C4' energy: -39.237
flat angles C4'-P-C4' energy: -31.246
flat angles P-C4'-P energy: -26.438
tors. eta vs tors. theta energy: -33.763
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: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -207.348942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.348942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.348942 (E_RNA)
where:
Base-Base interactions energy: -91.207
where: short stacking energy: -65.434
Base-Backbone interact. energy: -0.421
local terms energy: -115.721402
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -28.623
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -16.046
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: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -211.364645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.364645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.364645 (E_RNA)
where:
Base-Base interactions energy: -96.597
where: short stacking energy: -60.212
Base-Backbone interact. energy: -0.650
local terms energy: -114.117288
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -38.486
flat angles C4'-P-C4' energy: -29.509
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -166.138478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.138478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.138478 (E_RNA)
where:
Base-Base interactions energy: -50.963
where: short stacking energy: -37.949
Base-Backbone interact. energy: -1.469
local terms energy: -113.706260
where:
bonds (distance) C4'-P energy: -29.676
bonds (distance) P-C4' energy: -36.138
flat angles C4'-P-C4' energy: -34.140
flat angles P-C4'-P energy: -18.631
tors. eta vs tors. theta energy: 4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -217.149523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.149523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.149523 (E_RNA)
where:
Base-Base interactions energy: -119.043
where: short stacking energy: -67.358
Base-Backbone interact. energy: -0.546
local terms energy: -97.560102
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -147.877484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.877484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.877484 (E_RNA)
where:
Base-Base interactions energy: -54.839
where: short stacking energy: -46.281
Base-Backbone interact. energy: -0.549
local terms energy: -92.488676
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -27.752
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: 11.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -576.901047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.901047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.901047 (E_RNA)
where:
Base-Base interactions energy: -386.509
where: short stacking energy: -159.625
Base-Backbone interact. energy: -0.582
local terms energy: -189.810682
where:
bonds (distance) C4'-P energy: -35.537
bonds (distance) P-C4' energy: -34.987
flat angles C4'-P-C4' energy: -37.912
flat angles P-C4'-P energy: -30.734
tors. eta vs tors. theta energy: -50.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -533.959494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.959494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.959494 (E_RNA)
where:
Base-Base interactions energy: -346.616
where: short stacking energy: -164.188
Base-Backbone interact. energy: -0.031
local terms energy: -187.312621
where:
bonds (distance) C4'-P energy: -34.566
bonds (distance) P-C4' energy: -31.917
flat angles C4'-P-C4' energy: -38.687
flat angles P-C4'-P energy: -29.478
tors. eta vs tors. theta energy: -52.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -502.205289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.205289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.205289 (E_RNA)
where:
Base-Base interactions energy: -332.476
where: short stacking energy: -136.783
Base-Backbone interact. energy: -0.797
local terms energy: -168.932381
where:
bonds (distance) C4'-P energy: -33.026
bonds (distance) P-C4' energy: -37.987
flat angles C4'-P-C4' energy: -36.949
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -45.949
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: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -451.782542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.782542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.782542 (E_RNA)
where:
Base-Base interactions energy: -299.098
where: short stacking energy: -128.468
Base-Backbone interact. energy: -0.695
local terms energy: -151.989409
where:
bonds (distance) C4'-P energy: -34.520
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -37.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -406.994752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.994752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.994752 (E_RNA)
where:
Base-Base interactions energy: -263.834
where: short stacking energy: -115.745
Base-Backbone interact. energy: 4.925
local terms energy: -148.085051
where:
bonds (distance) C4'-P energy: -33.568
bonds (distance) P-C4' energy: -34.902
flat angles C4'-P-C4' energy: -31.188
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -26.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -257.912821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.912821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.912821 (E_RNA)
where:
Base-Base interactions energy: -137.845
where: short stacking energy: -62.092
Base-Backbone interact. energy: -0.164
local terms energy: -119.903749
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -37.591
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -178.604191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.604191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.604191 (E_RNA)
where:
Base-Base interactions energy: -72.643
where: short stacking energy: -44.538
Base-Backbone interact. energy: -1.486
local terms energy: -104.475672
where:
bonds (distance) C4'-P energy: -29.566
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -25.405
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: 5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -254.026863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.026863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.026863 (E_RNA)
where:
Base-Base interactions energy: -132.024
where: short stacking energy: -75.424
Base-Backbone interact. energy: 1.310
local terms energy: -123.312547
where:
bonds (distance) C4'-P energy: -33.725
bonds (distance) P-C4' energy: -27.982
flat angles C4'-P-C4' energy: -31.418
flat angles P-C4'-P energy: -20.264
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -167.290369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.290369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.290369 (E_RNA)
where:
Base-Base interactions energy: -60.348
where: short stacking energy: -58.023
Base-Backbone interact. energy: -0.379
local terms energy: -106.563401
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -35.805
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -149.235014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.235014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.235014 (E_RNA)
where:
Base-Base interactions energy: -44.966
where: short stacking energy: -39.909
Base-Backbone interact. energy: -3.069
local terms energy: -101.200481
where:
bonds (distance) C4'-P energy: -27.486
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -26.667
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: 4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -576.104049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.104049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.104049 (E_RNA)
where:
Base-Base interactions energy: -388.386
where: short stacking energy: -175.784
Base-Backbone interact. energy: -0.492
local terms energy: -187.226162
where:
bonds (distance) C4'-P energy: -31.679
bonds (distance) P-C4' energy: -33.756
flat angles C4'-P-C4' energy: -39.212
flat angles P-C4'-P energy: -27.382
tors. eta vs tors. theta energy: -55.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -539.116535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.116535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.116535 (E_RNA)
where:
Base-Base interactions energy: -343.188
where: short stacking energy: -172.236
Base-Backbone interact. energy: -0.086
local terms energy: -195.842475
where:
bonds (distance) C4'-P energy: -39.473
bonds (distance) P-C4' energy: -36.080
flat angles C4'-P-C4' energy: -31.446
flat angles P-C4'-P energy: -28.716
tors. eta vs tors. theta energy: -60.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -520.488663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.488663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.488663 (E_RNA)
where:
Base-Base interactions energy: -362.629
where: short stacking energy: -134.761
Base-Backbone interact. energy: -0.556
local terms energy: -157.303308
where:
bonds (distance) C4'-P energy: -37.713
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -25.022
tors. eta vs tors. theta energy: -44.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -455.154633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.154633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.154633 (E_RNA)
where:
Base-Base interactions energy: -293.294
where: short stacking energy: -135.702
Base-Backbone interact. energy: -1.015
local terms energy: -160.845763
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -36.353
flat angles C4'-P-C4' energy: -33.333
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -41.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -405.825421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.825421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.825421 (E_RNA)
where:
Base-Base interactions energy: -254.398
where: short stacking energy: -105.344
Base-Backbone interact. energy: -1.217
local terms energy: -150.210253
where:
bonds (distance) C4'-P energy: -30.368
bonds (distance) P-C4' energy: -33.236
flat angles C4'-P-C4' energy: -33.803
flat angles P-C4'-P energy: -27.415
tors. eta vs tors. theta energy: -25.388
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: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -301.581685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.581685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.581685 (E_RNA)
where:
Base-Base interactions energy: -184.038
where: short stacking energy: -89.355
Base-Backbone interact. energy: -0.695
local terms energy: -116.848819
where:
bonds (distance) C4'-P energy: -35.485
bonds (distance) P-C4' energy: -29.303
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -24.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -183.866254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.866254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.866254 (E_RNA)
where:
Base-Base interactions energy: -69.750
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.396
local terms energy: -113.719352
where:
bonds (distance) C4'-P energy: -30.900
bonds (distance) P-C4' energy: -37.427
flat angles C4'-P-C4' energy: -30.615
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -167.765241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.765241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.765241 (E_RNA)
where:
Base-Base interactions energy: -65.735
where: short stacking energy: -41.522
Base-Backbone interact. energy: -0.568
local terms energy: -101.462110
where:
bonds (distance) C4'-P energy: -34.980
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -27.553
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: 3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -166.403919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.403919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.403919 (E_RNA)
where:
Base-Base interactions energy: -68.949
where: short stacking energy: -43.330
Base-Backbone interact. energy: -0.599
local terms energy: -96.855635
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -29.806
flat angles C4'-P-C4' energy: -30.749
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: 2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -163.039471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.039471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.039471 (E_RNA)
where:
Base-Base interactions energy: -40.406
where: short stacking energy: -39.906
Base-Backbone interact. energy: -0.536
local terms energy: -122.097228
where:
bonds (distance) C4'-P energy: -29.895
bonds (distance) P-C4' energy: -32.005
flat angles C4'-P-C4' energy: -27.255
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -10.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -577.931928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.931928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.931928 (E_RNA)
where:
Base-Base interactions energy: -381.086
where: short stacking energy: -168.091
Base-Backbone interact. energy: -1.607
local terms energy: -195.239776
where:
bonds (distance) C4'-P energy: -33.171
bonds (distance) P-C4' energy: -37.230
flat angles C4'-P-C4' energy: -41.193
flat angles P-C4'-P energy: -31.794
tors. eta vs tors. theta energy: -51.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -547.239863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.239863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.239863 (E_RNA)
where:
Base-Base interactions energy: -357.444
where: short stacking energy: -176.686
Base-Backbone interact. energy: -0.001
local terms energy: -189.795257
where:
bonds (distance) C4'-P energy: -33.939
bonds (distance) P-C4' energy: -34.174
flat angles C4'-P-C4' energy: -39.064
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -63.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -518.506002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.506002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.506002 (E_RNA)
where:
Base-Base interactions energy: -358.245
where: short stacking energy: -129.971
Base-Backbone interact. energy: -1.213
local terms energy: -159.048067
where:
bonds (distance) C4'-P energy: -27.385
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -24.798
tors. eta vs tors. theta energy: -41.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -472.230786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.230786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.230786 (E_RNA)
where:
Base-Base interactions energy: -314.394
where: short stacking energy: -124.836
Base-Backbone interact. energy: -0.146
local terms energy: -157.690387
where:
bonds (distance) C4'-P energy: -37.509
bonds (distance) P-C4' energy: -30.681
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -23.273
tors. eta vs tors. theta energy: -34.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -376.882620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.882620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.882620 (E_RNA)
where:
Base-Base interactions energy: -227.538
where: short stacking energy: -101.203
Base-Backbone interact. energy: -0.954
local terms energy: -148.390878
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -35.778
flat angles C4'-P-C4' energy: -31.949
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -26.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -298.961673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.961673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.961673 (E_RNA)
where:
Base-Base interactions energy: -171.028
where: short stacking energy: -90.989
Base-Backbone interact. energy: -0.970
local terms energy: -126.963808
where:
bonds (distance) C4'-P energy: -31.624
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -183.597972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.597972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.597972 (E_RNA)
where:
Base-Base interactions energy: -76.450
where: short stacking energy: -46.613
Base-Backbone interact. energy: -0.428
local terms energy: -106.719763
where:
bonds (distance) C4'-P energy: -31.506
bonds (distance) P-C4' energy: -30.814
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -20.646
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -171.416102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.416102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.416102 (E_RNA)
where:
Base-Base interactions energy: -59.371
where: short stacking energy: -40.770
Base-Backbone interact. energy: -1.512
local terms energy: -110.532820
where:
bonds (distance) C4'-P energy: -24.169
bonds (distance) P-C4' energy: -34.352
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: -8.844
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: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -156.334209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.334209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.334209 (E_RNA)
where:
Base-Base interactions energy: -40.520
where: short stacking energy: -34.485
Base-Backbone interact. energy: -0.376
local terms energy: -115.438678
where:
bonds (distance) C4'-P energy: -38.570
bonds (distance) P-C4' energy: -35.715
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -143.253436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.253436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.253436 (E_RNA)
where:
Base-Base interactions energy: -45.168
where: short stacking energy: -38.317
Base-Backbone interact. energy: -0.553
local terms energy: -97.532780
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -31.855
flat angles C4'-P-C4' energy: -26.949
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: 1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -584.490124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.490124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.490124 (E_RNA)
where:
Base-Base interactions energy: -392.078
where: short stacking energy: -155.204
Base-Backbone interact. energy: -0.142
local terms energy: -192.269880
where:
bonds (distance) C4'-P energy: -35.512
bonds (distance) P-C4' energy: -43.309
flat angles C4'-P-C4' energy: -40.142
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -52.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -529.455054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.455054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.455054 (E_RNA)
where:
Base-Base interactions energy: -337.538
where: short stacking energy: -165.034
Base-Backbone interact. energy: -0.038
local terms energy: -191.879474
where:
bonds (distance) C4'-P energy: -35.937
bonds (distance) P-C4' energy: -34.019
flat angles C4'-P-C4' energy: -38.262
flat angles P-C4'-P energy: -23.541
tors. eta vs tors. theta energy: -60.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -526.311911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.311911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.311911 (E_RNA)
where:
Base-Base interactions energy: -366.421
where: short stacking energy: -134.137
Base-Backbone interact. energy: -0.526
local terms energy: -159.365159
where:
bonds (distance) C4'-P energy: -32.181
bonds (distance) P-C4' energy: -26.643
flat angles C4'-P-C4' energy: -41.086
flat angles P-C4'-P energy: -23.188
tors. eta vs tors. theta energy: -36.268
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: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -493.297059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.297059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.297059 (E_RNA)
where:
Base-Base interactions energy: -322.734
where: short stacking energy: -121.065
Base-Backbone interact. energy: -1.868
local terms energy: -168.695274
where:
bonds (distance) C4'-P energy: -35.932
bonds (distance) P-C4' energy: -35.582
flat angles C4'-P-C4' energy: -36.457
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -38.271
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: 1
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -373.384843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.384843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.384843 (E_RNA)
where:
Base-Base interactions energy: -241.755
where: short stacking energy: -94.265
Base-Backbone interact. energy: -0.126
local terms energy: -131.503116
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -16.133
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: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -315.527619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.527619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.527619 (E_RNA)
where:
Base-Base interactions energy: -198.957
where: short stacking energy: -102.152
Base-Backbone interact. energy: -0.612
local terms energy: -115.958704
where:
bonds (distance) C4'-P energy: -29.698
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -227.327787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.327787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.327787 (E_RNA)
where:
Base-Base interactions energy: -111.877
where: short stacking energy: -51.698
Base-Backbone interact. energy: -2.179
local terms energy: -113.271830
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -32.014
flat angles C4'-P-C4' energy: -29.224
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -173.638232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.638232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.638232 (E_RNA)
where:
Base-Base interactions energy: -61.327
where: short stacking energy: -41.503
Base-Backbone interact. energy: 1.937
local terms energy: -114.248753
where:
bonds (distance) C4'-P energy: -31.640
bonds (distance) P-C4' energy: -33.869
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -169.285698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.285698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.285698 (E_RNA)
where:
Base-Base interactions energy: -63.742
where: short stacking energy: -44.437
Base-Backbone interact. energy: -0.427
local terms energy: -105.117237
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -30.154
flat angles P-C4'-P energy: -19.914
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: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -144.399633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.399633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.399633 (E_RNA)
where:
Base-Base interactions energy: -35.982
where: short stacking energy: -34.979
Base-Backbone interact. energy: -0.092
local terms energy: -108.325014
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -34.746
flat angles C4'-P-C4' energy: -31.399
flat angles P-C4'-P energy: -22.155
tors. eta vs tors. theta energy: 8.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -575.925854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.925854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.925854 (E_RNA)
where:
Base-Base interactions energy: -387.853
where: short stacking energy: -157.163
Base-Backbone interact. energy: 0.098
local terms energy: -188.170166
where:
bonds (distance) C4'-P energy: -36.869
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -36.205
flat angles P-C4'-P energy: -28.879
tors. eta vs tors. theta energy: -53.054
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: 2, replica: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -531.570733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.570733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.570733 (E_RNA)
where:
Base-Base interactions energy: -348.241
where: short stacking energy: -168.251
Base-Backbone interact. energy: -0.031
local terms energy: -183.298741
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -33.509
flat angles C4'-P-C4' energy: -39.617
flat angles P-C4'-P energy: -18.916
tors. eta vs tors. theta energy: -60.101
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: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -514.558556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.558556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.558556 (E_RNA)
where:
Base-Base interactions energy: -344.417
where: short stacking energy: -146.666
Base-Backbone interact. energy: -0.696
local terms energy: -169.445532
where:
bonds (distance) C4'-P energy: -33.220
bonds (distance) P-C4' energy: -33.896
flat angles C4'-P-C4' energy: -36.025
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -42.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -501.808443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.808443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.808443 (E_RNA)
where:
Base-Base interactions energy: -343.317
where: short stacking energy: -114.314
Base-Backbone interact. energy: -0.242
local terms energy: -158.249722
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -39.135
flat angles C4'-P-C4' energy: -31.716
flat angles P-C4'-P energy: -27.147
tors. eta vs tors. theta energy: -34.554
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: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -386.520539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.520539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.520539 (E_RNA)
where:
Base-Base interactions energy: -241.088
where: short stacking energy: -101.088
Base-Backbone interact. energy: -0.872
local terms energy: -144.560399
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -36.987
flat angles C4'-P-C4' energy: -26.937
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -295.757543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.757543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.757543 (E_RNA)
where:
Base-Base interactions energy: -163.376
where: short stacking energy: -86.815
Base-Backbone interact. energy: -0.346
local terms energy: -132.035900
where:
bonds (distance) C4'-P energy: -32.866
bonds (distance) P-C4' energy: -35.996
flat angles C4'-P-C4' energy: -29.955
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -208.087177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.087177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.087177 (E_RNA)
where:
Base-Base interactions energy: -107.477
where: short stacking energy: -50.717
Base-Backbone interact. energy: 1.038
local terms energy: -101.648002
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -10.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -167.586585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.586585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.586585 (E_RNA)
where:
Base-Base interactions energy: -74.534
where: short stacking energy: -56.829
Base-Backbone interact. energy: 0.933
local terms energy: -93.985416
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -33.660
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: 2.881
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: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -172.703297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.703297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.703297 (E_RNA)
where:
Base-Base interactions energy: -68.236
where: short stacking energy: -46.963
Base-Backbone interact. energy: 0.042
local terms energy: -104.509792
where:
bonds (distance) C4'-P energy: -31.590
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -33.827
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -0.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -150.466048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.466048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.466048 (E_RNA)
where:
Base-Base interactions energy: -50.769
where: short stacking energy: -28.796
Base-Backbone interact. energy: -1.879
local terms energy: -97.818928
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -32.211
flat angles C4'-P-C4' energy: -25.095
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: 7.535
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: 244
Temperature: 0.900000
Total energy: -566.059194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.059194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.059194 (E_RNA)
where:
Base-Base interactions energy: -380.516
where: short stacking energy: -158.903
Base-Backbone interact. energy: -0.599
local terms energy: -184.944183
where:
bonds (distance) C4'-P energy: -32.386
bonds (distance) P-C4' energy: -35.960
flat angles C4'-P-C4' energy: -41.000
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: -51.699
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: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -549.364639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.364639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.364639 (E_RNA)
where:
Base-Base interactions energy: -346.399
where: short stacking energy: -169.808
Base-Backbone interact. energy: -0.010
local terms energy: -202.955611
where:
bonds (distance) C4'-P energy: -41.729
bonds (distance) P-C4' energy: -36.000
flat angles C4'-P-C4' energy: -42.169
flat angles P-C4'-P energy: -24.143
tors. eta vs tors. theta energy: -58.914
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: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -531.558966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.558966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.558966 (E_RNA)
where:
Base-Base interactions energy: -369.761
where: short stacking energy: -162.092
Base-Backbone interact. energy: -1.321
local terms energy: -160.476382
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -31.414
flat angles C4'-P-C4' energy: -32.030
flat angles P-C4'-P energy: -22.166
tors. eta vs tors. theta energy: -45.998
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: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -499.090927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.090927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.090927 (E_RNA)
where:
Base-Base interactions energy: -350.401
where: short stacking energy: -126.656
Base-Backbone interact. energy: -0.501
local terms energy: -148.189573
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -35.886
flat angles C4'-P-C4' energy: -31.359
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -38.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -380.074306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.074306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.074306 (E_RNA)
where:
Base-Base interactions energy: -228.874
where: short stacking energy: -107.656
Base-Backbone interact. energy: -0.071
local terms energy: -151.129117
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -34.770
flat angles C4'-P-C4' energy: -33.973
flat angles P-C4'-P energy: -23.676
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: 6, replica: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -320.106969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.106969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.106969 (E_RNA)
where:
Base-Base interactions energy: -180.133
where: short stacking energy: -84.774
Base-Backbone interact. energy: 1.776
local terms energy: -141.749952
where:
bonds (distance) C4'-P energy: -26.154
bonds (distance) P-C4' energy: -35.519
flat angles C4'-P-C4' energy: -37.059
flat angles P-C4'-P energy: -22.843
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -219.859407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.859407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.859407 (E_RNA)
where:
Base-Base interactions energy: -107.660
where: short stacking energy: -70.924
Base-Backbone interact. energy: -0.887
local terms energy: -111.312134
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -37.197
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -18.527
tors. eta vs tors. theta energy: -9.308
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: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -163.052841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.052841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.052841 (E_RNA)
where:
Base-Base interactions energy: -55.794
where: short stacking energy: -49.744
Base-Backbone interact. energy: -0.581
local terms energy: -106.677964
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -36.093
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -163.619443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.619443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.619443 (E_RNA)
where:
Base-Base interactions energy: -54.855
where: short stacking energy: -40.559
Base-Backbone interact. energy: 0.107
local terms energy: -108.871327
where:
bonds (distance) C4'-P energy: -33.005
bonds (distance) P-C4' energy: -28.612
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: -4.323
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: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -140.876578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.876578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.876578 (E_RNA)
where:
Base-Base interactions energy: -42.090
where: short stacking energy: -37.737
Base-Backbone interact. energy: 0.830
local terms energy: -99.616426
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: 4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -566.203758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.203758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.203758 (E_RNA)
where:
Base-Base interactions energy: -378.961
where: short stacking energy: -165.033
Base-Backbone interact. energy: -0.706
local terms energy: -186.536824
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -37.989
flat angles C4'-P-C4' energy: -33.446
flat angles P-C4'-P energy: -28.059
tors. eta vs tors. theta energy: -52.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -538.807307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.807307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.807307 (E_RNA)
where:
Base-Base interactions energy: -356.841
where: short stacking energy: -167.283
Base-Backbone interact. energy: -0.292
local terms energy: -181.673621
where:
bonds (distance) C4'-P energy: -28.797
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -39.362
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -55.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -516.590200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.590200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.590200 (E_RNA)
where:
Base-Base interactions energy: -360.157
where: short stacking energy: -151.692
Base-Backbone interact. energy: -0.461
local terms energy: -155.971723
where:
bonds (distance) C4'-P energy: -31.034
bonds (distance) P-C4' energy: -30.406
flat angles C4'-P-C4' energy: -38.487
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -43.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -492.057235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.057235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.057235 (E_RNA)
where:
Base-Base interactions energy: -327.834
where: short stacking energy: -125.415
Base-Backbone interact. energy: 1.075
local terms energy: -165.298405
where:
bonds (distance) C4'-P energy: -31.380
bonds (distance) P-C4' energy: -31.974
flat angles C4'-P-C4' energy: -35.114
flat angles P-C4'-P energy: -28.235
tors. eta vs tors. theta energy: -38.595
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: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -407.066666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.066666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.066666 (E_RNA)
where:
Base-Base interactions energy: -255.799
where: short stacking energy: -125.178
Base-Backbone interact. energy: 1.439
local terms energy: -152.706220
where:
bonds (distance) C4'-P energy: -28.702
bonds (distance) P-C4' energy: -28.577
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: -42.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -335.721665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.721665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.721665 (E_RNA)
where:
Base-Base interactions energy: -191.349
where: short stacking energy: -105.958
Base-Backbone interact. energy: -0.400
local terms energy: -143.973010
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -35.256
flat angles C4'-P-C4' energy: -43.064
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -225.345238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.345238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.345238 (E_RNA)
where:
Base-Base interactions energy: -114.350
where: short stacking energy: -68.099
Base-Backbone interact. energy: -1.001
local terms energy: -109.994281
where:
bonds (distance) C4'-P energy: -40.162
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -184.962565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.962565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.962565 (E_RNA)
where:
Base-Base interactions energy: -89.251
where: short stacking energy: -49.414
Base-Backbone interact. energy: -0.836
local terms energy: -94.875790
where:
bonds (distance) C4'-P energy: -34.618
bonds (distance) P-C4' energy: -25.301
flat angles C4'-P-C4' energy: -21.427
flat angles P-C4'-P energy: -7.294
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: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -158.964349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.964349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.964349 (E_RNA)
where:
Base-Base interactions energy: -48.660
where: short stacking energy: -34.386
Base-Backbone interact. energy: -0.386
local terms energy: -109.917615
where:
bonds (distance) C4'-P energy: -34.728
bonds (distance) P-C4' energy: -30.954
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -153.071769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.071769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.071769 (E_RNA)
where:
Base-Base interactions energy: -41.750
where: short stacking energy: -29.792
Base-Backbone interact. energy: -0.447
local terms energy: -110.874700
where:
bonds (distance) C4'-P energy: -35.142
bonds (distance) P-C4' energy: -35.235
flat angles C4'-P-C4' energy: -30.378
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: 6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -574.294370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.294370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.294370 (E_RNA)
where:
Base-Base interactions energy: -394.029
where: short stacking energy: -155.664
Base-Backbone interact. energy: -0.188
local terms energy: -180.077267
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -36.925
flat angles C4'-P-C4' energy: -40.061
flat angles P-C4'-P energy: -26.104
tors. eta vs tors. theta energy: -48.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -536.297891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.297891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.297891 (E_RNA)
where:
Base-Base interactions energy: -344.775
where: short stacking energy: -163.543
Base-Backbone interact. energy: -0.086
local terms energy: -191.436453
where:
bonds (distance) C4'-P energy: -32.651
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -38.688
flat angles P-C4'-P energy: -28.372
tors. eta vs tors. theta energy: -60.189
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: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -515.299541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.299541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.299541 (E_RNA)
where:
Base-Base interactions energy: -344.903
where: short stacking energy: -139.311
Base-Backbone interact. energy: -0.462
local terms energy: -169.935272
where:
bonds (distance) C4'-P energy: -33.247
bonds (distance) P-C4' energy: -37.389
flat angles C4'-P-C4' energy: -34.765
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -44.601
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: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -477.154537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.154537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.154537 (E_RNA)
where:
Base-Base interactions energy: -311.066
where: short stacking energy: -111.914
Base-Backbone interact. energy: -1.317
local terms energy: -164.771731
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -34.863
flat angles C4'-P-C4' energy: -33.283
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -40.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -424.757547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.757547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.757547 (E_RNA)
where:
Base-Base interactions energy: -262.463
where: short stacking energy: -125.702
Base-Backbone interact. energy: -0.317
local terms energy: -161.977514
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -36.728
flat angles C4'-P-C4' energy: -35.319
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -38.537
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: 6, replica: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -311.797341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.797341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.797341 (E_RNA)
where:
Base-Base interactions energy: -177.449
where: short stacking energy: -84.565
Base-Backbone interact. energy: -0.561
local terms energy: -133.787342
where:
bonds (distance) C4'-P energy: -25.595
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -36.879
flat angles P-C4'-P energy: -23.827
tors. eta vs tors. theta energy: -17.205
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: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -235.448621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.448621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.448621 (E_RNA)
where:
Base-Base interactions energy: -125.962
where: short stacking energy: -65.843
Base-Backbone interact. energy: -0.803
local terms energy: -108.683365
where:
bonds (distance) C4'-P energy: -36.627
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -27.837
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -8.052
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: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -171.212969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.212969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.212969 (E_RNA)
where:
Base-Base interactions energy: -76.359
where: short stacking energy: -36.959
Base-Backbone interact. energy: -1.220
local terms energy: -93.633358
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: 7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -157.641808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.641808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.641808 (E_RNA)
where:
Base-Base interactions energy: -54.071
where: short stacking energy: -32.118
Base-Backbone interact. energy: -1.134
local terms energy: -102.436444
where:
bonds (distance) C4'-P energy: -34.052
bonds (distance) P-C4' energy: -38.768
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: 4.578
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: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -154.824992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.824992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.824992 (E_RNA)
where:
Base-Base interactions energy: -62.439
where: short stacking energy: -47.452
Base-Backbone interact. energy: 1.500
local terms energy: -93.885810
where:
bonds (distance) C4'-P energy: -24.547
bonds (distance) P-C4' energy: -32.328
flat angles C4'-P-C4' energy: -29.037
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: 1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -579.410419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.410419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.410419 (E_RNA)
where:
Base-Base interactions energy: -390.506
where: short stacking energy: -154.115
Base-Backbone interact. energy: -0.837
local terms energy: -188.067573
where:
bonds (distance) C4'-P energy: -37.494
bonds (distance) P-C4' energy: -38.183
flat angles C4'-P-C4' energy: -35.791
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -53.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -533.755911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.755911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.755911 (E_RNA)
where:
Base-Base interactions energy: -343.131
where: short stacking energy: -163.444
Base-Backbone interact. energy: -0.791
local terms energy: -189.834114
where:
bonds (distance) C4'-P energy: -41.603
bonds (distance) P-C4' energy: -34.288
flat angles C4'-P-C4' energy: -34.830
flat angles P-C4'-P energy: -21.155
tors. eta vs tors. theta energy: -57.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -521.691484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.691484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.691484 (E_RNA)
where:
Base-Base interactions energy: -354.393
where: short stacking energy: -147.325
Base-Backbone interact. energy: -0.588
local terms energy: -166.710379
where:
bonds (distance) C4'-P energy: -37.360
bonds (distance) P-C4' energy: -33.810
flat angles C4'-P-C4' energy: -38.133
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -43.344
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: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -496.515893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.515893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.515893 (E_RNA)
where:
Base-Base interactions energy: -336.771
where: short stacking energy: -137.481
Base-Backbone interact. energy: -1.062
local terms energy: -158.682789
where:
bonds (distance) C4'-P energy: -27.754
bonds (distance) P-C4' energy: -39.927
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -24.546
tors. eta vs tors. theta energy: -35.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -428.637144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.637144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.637144 (E_RNA)
where:
Base-Base interactions energy: -281.379
where: short stacking energy: -123.876
Base-Backbone interact. energy: -2.043
local terms energy: -145.215205
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -29.404
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -35.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -323.932057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.932057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.932057 (E_RNA)
where:
Base-Base interactions energy: -178.749
where: short stacking energy: -76.549
Base-Backbone interact. energy: 0.244
local terms energy: -145.427414
where:
bonds (distance) C4'-P energy: -32.084
bonds (distance) P-C4' energy: -33.753
flat angles C4'-P-C4' energy: -37.167
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -18.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -230.067767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.067767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.067767 (E_RNA)
where:
Base-Base interactions energy: -135.081
where: short stacking energy: -49.991
Base-Backbone interact. energy: -0.790
local terms energy: -94.196764
where:
bonds (distance) C4'-P energy: -24.823
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -27.583
flat angles P-C4'-P energy: -1.802
tors. eta vs tors. theta energy: -7.426
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: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -188.179484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.179484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.179484 (E_RNA)
where:
Base-Base interactions energy: -86.636
where: short stacking energy: -55.355
Base-Backbone interact. energy: 1.076
local terms energy: -102.619528
where:
bonds (distance) C4'-P energy: -30.907
bonds (distance) P-C4' energy: -30.920
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -3.894
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: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -165.980117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.980117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.980117 (E_RNA)
where:
Base-Base interactions energy: -50.619
where: short stacking energy: -36.231
Base-Backbone interact. energy: -1.050
local terms energy: -114.311307
where:
bonds (distance) C4'-P energy: -32.308
bonds (distance) P-C4' energy: -31.187
flat angles C4'-P-C4' energy: -32.197
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -152.659606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.659606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.659606 (E_RNA)
where:
Base-Base interactions energy: -68.900
where: short stacking energy: -28.339
Base-Backbone interact. energy: 0.559
local terms energy: -84.318236
where:
bonds (distance) C4'-P energy: -26.082
bonds (distance) P-C4' energy: -32.433
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: 8.038
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: 248
Temperature: 0.900000
Total energy: -575.177704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.177704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.177704 (E_RNA)
where:
Base-Base interactions energy: -392.163
where: short stacking energy: -165.732
Base-Backbone interact. energy: 0.618
local terms energy: -183.632301
where:
bonds (distance) C4'-P energy: -31.450
bonds (distance) P-C4' energy: -36.793
flat angles C4'-P-C4' energy: -34.775
flat angles P-C4'-P energy: -29.157
tors. eta vs tors. theta energy: -51.457
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: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -514.359281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.359281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.359281 (E_RNA)
where:
Base-Base interactions energy: -333.421
where: short stacking energy: -160.237
Base-Backbone interact. energy: -0.333
local terms energy: -180.604822
where:
bonds (distance) C4'-P energy: -32.648
bonds (distance) P-C4' energy: -36.532
flat angles C4'-P-C4' energy: -41.081
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -52.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -488.519190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.519190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.519190 (E_RNA)
where:
Base-Base interactions energy: -346.203
where: short stacking energy: -125.498
Base-Backbone interact. energy: -2.202
local terms energy: -140.113515
where:
bonds (distance) C4'-P energy: -23.626
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -35.114
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -34.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -469.519983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.519983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.519983 (E_RNA)
where:
Base-Base interactions energy: -301.413
where: short stacking energy: -133.431
Base-Backbone interact. energy: -0.493
local terms energy: -167.614295
where:
bonds (distance) C4'-P energy: -33.301
bonds (distance) P-C4' energy: -26.066
flat angles C4'-P-C4' energy: -34.312
flat angles P-C4'-P energy: -25.844
tors. eta vs tors. theta energy: -48.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -410.537755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.537755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.537755 (E_RNA)
where:
Base-Base interactions energy: -251.163
where: short stacking energy: -113.803
Base-Backbone interact. energy: -0.291
local terms energy: -159.083869
where:
bonds (distance) C4'-P energy: -34.167
bonds (distance) P-C4' energy: -34.687
flat angles C4'-P-C4' energy: -36.119
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: -35.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -300.657634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.657634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.657634 (E_RNA)
where:
Base-Base interactions energy: -180.964
where: short stacking energy: -74.825
Base-Backbone interact. energy: 5.995
local terms energy: -125.689238
where:
bonds (distance) C4'-P energy: -33.035
bonds (distance) P-C4' energy: -34.064
flat angles C4'-P-C4' energy: -27.410
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -238.898859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.898859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.898859 (E_RNA)
where:
Base-Base interactions energy: -130.618
where: short stacking energy: -58.701
Base-Backbone interact. energy: -0.196
local terms energy: -108.085363
where:
bonds (distance) C4'-P energy: -33.474
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -184.230813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.230813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.230813 (E_RNA)
where:
Base-Base interactions energy: -78.097
where: short stacking energy: -52.233
Base-Backbone interact. energy: -0.786
local terms energy: -105.347218
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -36.502
flat angles C4'-P-C4' energy: -26.965
flat angles P-C4'-P energy: -19.942
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -146.279484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.279484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.279484 (E_RNA)
where:
Base-Base interactions energy: -48.224
where: short stacking energy: -38.037
Base-Backbone interact. energy: -1.694
local terms energy: -96.361488
where:
bonds (distance) C4'-P energy: -23.332
bonds (distance) P-C4' energy: -34.011
flat angles C4'-P-C4' energy: -36.316
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: 6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -144.573056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.573056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.573056 (E_RNA)
where:
Base-Base interactions energy: -50.121
where: short stacking energy: -43.450
Base-Backbone interact. energy: 0.686
local terms energy: -95.137754
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -27.197
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: 3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -563.411738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.411738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.411738 (E_RNA)
where:
Base-Base interactions energy: -365.554
where: short stacking energy: -159.870
Base-Backbone interact. energy: -0.186
local terms energy: -197.671111
where:
bonds (distance) C4'-P energy: -37.562
bonds (distance) P-C4' energy: -39.939
flat angles C4'-P-C4' energy: -34.592
flat angles P-C4'-P energy: -31.601
tors. eta vs tors. theta energy: -53.977
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: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -522.450312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.450312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.450312 (E_RNA)
where:
Base-Base interactions energy: -363.269
where: short stacking energy: -126.914
Base-Backbone interact. energy: -1.431
local terms energy: -157.749799
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -36.443
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -42.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -498.267231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.267231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.267231 (E_RNA)
where:
Base-Base interactions energy: -321.527
where: short stacking energy: -140.049
Base-Backbone interact. energy: 0.039
local terms energy: -176.779764
where:
bonds (distance) C4'-P energy: -30.325
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -37.678
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: -52.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -464.957350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.957350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.957350 (E_RNA)
where:
Base-Base interactions energy: -311.511
where: short stacking energy: -121.262
Base-Backbone interact. energy: 2.162
local terms energy: -155.607792
where:
bonds (distance) C4'-P energy: -30.806
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -35.641
flat angles P-C4'-P energy: -19.947
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: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -417.037010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.037010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.037010 (E_RNA)
where:
Base-Base interactions energy: -270.010
where: short stacking energy: -112.417
Base-Backbone interact. energy: -0.482
local terms energy: -146.544914
where:
bonds (distance) C4'-P energy: -31.057
bonds (distance) P-C4' energy: -34.494
flat angles C4'-P-C4' energy: -29.122
flat angles P-C4'-P energy: -21.017
tors. eta vs tors. theta energy: -30.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -288.163121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.163121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.163121 (E_RNA)
where:
Base-Base interactions energy: -159.366
where: short stacking energy: -80.666
Base-Backbone interact. energy: -0.320
local terms energy: -128.477272
where:
bonds (distance) C4'-P energy: -34.347
bonds (distance) P-C4' energy: -34.897
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -15.038
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: 249
Temperature: 1.200000
Total energy: -230.834759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.834759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.834759 (E_RNA)
where:
Base-Base interactions energy: -116.717
where: short stacking energy: -72.980
Base-Backbone interact. energy: -1.276
local terms energy: -112.841837
where:
bonds (distance) C4'-P energy: -27.570
bonds (distance) P-C4' energy: -36.366
flat angles C4'-P-C4' energy: -29.040
flat angles P-C4'-P energy: -15.376
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: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -192.978056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.978056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.978056 (E_RNA)
where:
Base-Base interactions energy: -75.139
where: short stacking energy: -51.668
Base-Backbone interact. energy: 2.735
local terms energy: -120.573638
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -43.550
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -9.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -161.212286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.212286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.212286 (E_RNA)
where:
Base-Base interactions energy: -53.408
where: short stacking energy: -39.944
Base-Backbone interact. energy: -0.577
local terms energy: -107.227504
where:
bonds (distance) C4'-P energy: -34.459
bonds (distance) P-C4' energy: -37.151
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: 9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -145.692589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.692589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.692589 (E_RNA)
where:
Base-Base interactions energy: -51.789
where: short stacking energy: -34.032
Base-Backbone interact. energy: -1.011
local terms energy: -92.892915
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -30.447
flat angles C4'-P-C4' energy: -35.300
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: 9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -564.416970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.416970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.416970 (E_RNA)
where:
Base-Base interactions energy: -383.770
where: short stacking energy: -171.824
Base-Backbone interact. energy: -0.240
local terms energy: -180.406526
where:
bonds (distance) C4'-P energy: -37.174
bonds (distance) P-C4' energy: -30.723
flat angles C4'-P-C4' energy: -35.849
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -52.710
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: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -541.206925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.206925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.206925 (E_RNA)
where:
Base-Base interactions energy: -368.242
where: short stacking energy: -136.656
Base-Backbone interact. energy: -2.091
local terms energy: -170.874547
where:
bonds (distance) C4'-P energy: -37.352
bonds (distance) P-C4' energy: -32.297
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -19.203
tors. eta vs tors. theta energy: -49.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -482.959454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.959454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.959454 (E_RNA)
where:
Base-Base interactions energy: -306.765
where: short stacking energy: -147.318
Base-Backbone interact. energy: -0.212
local terms energy: -175.982222
where:
bonds (distance) C4'-P energy: -29.491
bonds (distance) P-C4' energy: -34.256
flat angles C4'-P-C4' energy: -30.054
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -55.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -468.697422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.697422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.697422 (E_RNA)
where:
Base-Base interactions energy: -313.294
where: short stacking energy: -125.872
Base-Backbone interact. energy: -0.524
local terms energy: -154.880153
where:
bonds (distance) C4'-P energy: -35.638
bonds (distance) P-C4' energy: -25.619
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -37.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -419.318436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.318436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.318436 (E_RNA)
where:
Base-Base interactions energy: -266.672
where: short stacking energy: -129.326
Base-Backbone interact. energy: 0.428
local terms energy: -153.074854
where:
bonds (distance) C4'-P energy: -25.097
bonds (distance) P-C4' energy: -31.140
flat angles C4'-P-C4' energy: -36.136
flat angles P-C4'-P energy: -22.917
tors. eta vs tors. theta energy: -37.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -309.073294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.073294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.073294 (E_RNA)
where:
Base-Base interactions energy: -169.485
where: short stacking energy: -86.267
Base-Backbone interact. energy: -0.133
local terms energy: -139.455015
where:
bonds (distance) C4'-P energy: -34.069
bonds (distance) P-C4' energy: -35.213
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -20.456
tors. eta vs tors. theta energy: -24.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -278.589790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.589790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.589790 (E_RNA)
where:
Base-Base interactions energy: -147.300
where: short stacking energy: -81.748
Base-Backbone interact. energy: 0.630
local terms energy: -131.920114
where:
bonds (distance) C4'-P energy: -34.262
bonds (distance) P-C4' energy: -29.907
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -178.225091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.225091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.225091 (E_RNA)
where:
Base-Base interactions energy: -80.975
where: short stacking energy: -54.083
Base-Backbone interact. energy: -1.447
local terms energy: -95.802920
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -30.143
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -11.260
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: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -203.051436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.051436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.051436 (E_RNA)
where:
Base-Base interactions energy: -86.343
where: short stacking energy: -50.827
Base-Backbone interact. energy: 3.188
local terms energy: -119.896548
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -31.357
flat angles C4'-P-C4' energy: -37.627
flat angles P-C4'-P energy: -19.338
tors. eta vs tors. theta energy: -0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -139.083100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.083100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.083100 (E_RNA)
where:
Base-Base interactions energy: -30.471
where: short stacking energy: -25.204
Base-Backbone interact. energy: -1.013
local terms energy: -107.598425
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -33.553
flat angles C4'-P-C4' energy: -38.540
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: 6.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -557.470226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.470226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.470226 (E_RNA)
where:
Base-Base interactions energy: -377.996
where: short stacking energy: -168.896
Base-Backbone interact. energy: -0.096
local terms energy: -179.377610
where:
bonds (distance) C4'-P energy: -33.652
bonds (distance) P-C4' energy: -35.100
flat angles C4'-P-C4' energy: -38.940
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -55.174
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: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -503.196221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.196221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.196221 (E_RNA)
where:
Base-Base interactions energy: -318.828
where: short stacking energy: -149.714
Base-Backbone interact. energy: -1.434
local terms energy: -182.934281
where:
bonds (distance) C4'-P energy: -30.327
bonds (distance) P-C4' energy: -30.731
flat angles C4'-P-C4' energy: -43.329
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -55.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -511.700372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.700372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.700372 (E_RNA)
where:
Base-Base interactions energy: -337.805
where: short stacking energy: -133.445
Base-Backbone interact. energy: -2.828
local terms energy: -171.067627
where:
bonds (distance) C4'-P energy: -35.301
bonds (distance) P-C4' energy: -36.772
flat angles C4'-P-C4' energy: -31.732
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -44.354
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: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -459.803814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.803814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.803814 (E_RNA)
where:
Base-Base interactions energy: -293.770
where: short stacking energy: -142.385
Base-Backbone interact. energy: -0.222
local terms energy: -165.811181
where:
bonds (distance) C4'-P energy: -31.521
bonds (distance) P-C4' energy: -36.854
flat angles C4'-P-C4' energy: -33.593
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: -43.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -370.221353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.221353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.221353 (E_RNA)
where:
Base-Base interactions energy: -218.454
where: short stacking energy: -100.941
Base-Backbone interact. energy: -1.268
local terms energy: -150.499496
where:
bonds (distance) C4'-P energy: -37.540
bonds (distance) P-C4' energy: -33.841
flat angles C4'-P-C4' energy: -33.031
flat angles P-C4'-P energy: -17.788
tors. eta vs tors. theta energy: -28.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -290.150220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.150220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.150220 (E_RNA)
where:
Base-Base interactions energy: -160.586
where: short stacking energy: -75.219
Base-Backbone interact. energy: 0.110
local terms energy: -129.674558
where:
bonds (distance) C4'-P energy: -35.251
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -31.546
flat angles P-C4'-P energy: -22.161
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -261.690800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.690800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.690800 (E_RNA)
where:
Base-Base interactions energy: -126.723
where: short stacking energy: -74.259
Base-Backbone interact. energy: -0.675
local terms energy: -134.293005
where:
bonds (distance) C4'-P energy: -32.381
bonds (distance) P-C4' energy: -35.531
flat angles C4'-P-C4' energy: -32.599
flat angles P-C4'-P energy: -23.288
tors. eta vs tors. theta energy: -10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -165.903751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.903751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.903751 (E_RNA)
where:
Base-Base interactions energy: -51.286
where: short stacking energy: -27.543
Base-Backbone interact. energy: 0.325
local terms energy: -114.942829
where:
bonds (distance) C4'-P energy: -35.784
bonds (distance) P-C4' energy: -37.882
flat angles C4'-P-C4' energy: -28.420
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: 7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -155.959078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.959078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.959078 (E_RNA)
where:
Base-Base interactions energy: -56.025
where: short stacking energy: -38.032
Base-Backbone interact. energy: -0.483
local terms energy: -99.450237
where:
bonds (distance) C4'-P energy: -34.640
bonds (distance) P-C4' energy: -32.729
flat angles C4'-P-C4' energy: -30.673
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: 7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -150.464935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.464935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.464935 (E_RNA)
where:
Base-Base interactions energy: -47.666
where: short stacking energy: -35.925
Base-Backbone interact. energy: -1.057
local terms energy: -101.741982
where:
bonds (distance) C4'-P energy: -32.054
bonds (distance) P-C4' energy: -31.396
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: 1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -550.382380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.382380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.382380 (E_RNA)
where:
Base-Base interactions energy: -351.696
where: short stacking energy: -168.692
Base-Backbone interact. energy: 0.135
local terms energy: -198.821117
where:
bonds (distance) C4'-P energy: -37.112
bonds (distance) P-C4' energy: -32.959
flat angles C4'-P-C4' energy: -41.413
flat angles P-C4'-P energy: -30.484
tors. eta vs tors. theta energy: -56.854
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: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -556.082860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.082860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.082860 (E_RNA)
where:
Base-Base interactions energy: -374.098
where: short stacking energy: -158.792
Base-Backbone interact. energy: -0.139
local terms energy: -181.846487
where:
bonds (distance) C4'-P energy: -31.041
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -37.213
flat angles P-C4'-P energy: -28.364
tors. eta vs tors. theta energy: -52.959
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: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -494.066581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.066581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.066581 (E_RNA)
where:
Base-Base interactions energy: -345.539
where: short stacking energy: -128.910
Base-Backbone interact. energy: -1.047
local terms energy: -147.480660
where:
bonds (distance) C4'-P energy: -30.995
bonds (distance) P-C4' energy: -25.103
flat angles C4'-P-C4' energy: -37.830
flat angles P-C4'-P energy: -17.871
tors. eta vs tors. theta energy: -35.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -470.100524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.100524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.100524 (E_RNA)
where:
Base-Base interactions energy: -305.191
where: short stacking energy: -133.164
Base-Backbone interact. energy: -0.309
local terms energy: -164.600697
where:
bonds (distance) C4'-P energy: -32.171
bonds (distance) P-C4' energy: -33.468
flat angles C4'-P-C4' energy: -31.210
flat angles P-C4'-P energy: -25.935
tors. eta vs tors. theta energy: -41.817
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: 1
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -381.444752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.444752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.444752 (E_RNA)
where:
Base-Base interactions energy: -239.137
where: short stacking energy: -103.312
Base-Backbone interact. energy: -0.900
local terms energy: -141.408401
where:
bonds (distance) C4'-P energy: -36.289
bonds (distance) P-C4' energy: -32.399
flat angles C4'-P-C4' energy: -26.169
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -29.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -273.591574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.591574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.591574 (E_RNA)
where:
Base-Base interactions energy: -154.971
where: short stacking energy: -77.544
Base-Backbone interact. energy: 0.218
local terms energy: -118.838631
where:
bonds (distance) C4'-P energy: -28.983
bonds (distance) P-C4' energy: -37.986
flat angles C4'-P-C4' energy: -34.429
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -225.421870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.421870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.421870 (E_RNA)
where:
Base-Base interactions energy: -113.379
where: short stacking energy: -74.300
Base-Backbone interact. energy: -0.987
local terms energy: -111.055979
where:
bonds (distance) C4'-P energy: -31.810
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -8.836
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: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -160.022237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.022237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.022237 (E_RNA)
where:
Base-Base interactions energy: -62.774
where: short stacking energy: -46.534
Base-Backbone interact. energy: -0.384
local terms energy: -96.864328
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -36.622
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: 7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -171.038832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.038832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.038832 (E_RNA)
where:
Base-Base interactions energy: -62.453
where: short stacking energy: -54.811
Base-Backbone interact. energy: -0.548
local terms energy: -108.037693
where:
bonds (distance) C4'-P energy: -27.517
bonds (distance) P-C4' energy: -26.502
flat angles C4'-P-C4' energy: -32.782
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -150.877854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.877854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.877854 (E_RNA)
where:
Base-Base interactions energy: -55.117
where: short stacking energy: -36.518
Base-Backbone interact. energy: -1.361
local terms energy: -94.400026
where:
bonds (distance) C4'-P energy: -32.562
bonds (distance) P-C4' energy: -33.915
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: 2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -543.346955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.346955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.346955 (E_RNA)
where:
Base-Base interactions energy: -355.898
where: short stacking energy: -164.458
Base-Backbone interact. energy: -0.032
local terms energy: -187.417123
where:
bonds (distance) C4'-P energy: -39.599
bonds (distance) P-C4' energy: -33.205
flat angles C4'-P-C4' energy: -34.037
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -55.521
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: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -570.306957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.306957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.306957 (E_RNA)
where:
Base-Base interactions energy: -389.325
where: short stacking energy: -158.109
Base-Backbone interact. energy: -0.906
local terms energy: -180.076593
where:
bonds (distance) C4'-P energy: -33.494
bonds (distance) P-C4' energy: -36.861
flat angles C4'-P-C4' energy: -38.464
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -52.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -506.034065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.034065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.034065 (E_RNA)
where:
Base-Base interactions energy: -340.552
where: short stacking energy: -120.865
Base-Backbone interact. energy: -0.799
local terms energy: -164.683038
where:
bonds (distance) C4'-P energy: -36.532
bonds (distance) P-C4' energy: -36.487
flat angles C4'-P-C4' energy: -36.419
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -43.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -474.155589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.155589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.155589 (E_RNA)
where:
Base-Base interactions energy: -320.566
where: short stacking energy: -138.755
Base-Backbone interact. energy: -0.316
local terms energy: -153.273711
where:
bonds (distance) C4'-P energy: -32.639
bonds (distance) P-C4' energy: -26.093
flat angles C4'-P-C4' energy: -36.111
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -39.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -436.526250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.526250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.526250 (E_RNA)
where:
Base-Base interactions energy: -279.329
where: short stacking energy: -120.524
Base-Backbone interact. energy: -0.551
local terms energy: -156.646258
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -37.660
flat angles P-C4'-P energy: -21.244
tors. eta vs tors. theta energy: -33.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -272.097424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.097424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.097424 (E_RNA)
where:
Base-Base interactions energy: -142.601
where: short stacking energy: -79.665
Base-Backbone interact. energy: 0.123
local terms energy: -129.619584
where:
bonds (distance) C4'-P energy: -23.085
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -34.447
flat angles P-C4'-P energy: -20.982
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: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -277.112762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.112762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.112762 (E_RNA)
where:
Base-Base interactions energy: -151.498
where: short stacking energy: -66.338
Base-Backbone interact. energy: -1.536
local terms energy: -124.078861
where:
bonds (distance) C4'-P energy: -32.985
bonds (distance) P-C4' energy: -32.636
flat angles C4'-P-C4' energy: -26.298
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -175.826640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.826640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.826640 (E_RNA)
where:
Base-Base interactions energy: -63.101
where: short stacking energy: -53.391
Base-Backbone interact. energy: -1.086
local terms energy: -111.638753
where:
bonds (distance) C4'-P energy: -28.456
bonds (distance) P-C4' energy: -40.463
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -168.053398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.053398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.053398 (E_RNA)
where:
Base-Base interactions energy: -62.252
where: short stacking energy: -50.449
Base-Backbone interact. energy: -1.353
local terms energy: -104.448828
where:
bonds (distance) C4'-P energy: -28.926
bonds (distance) P-C4' energy: -28.245
flat angles C4'-P-C4' energy: -30.571
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -150.178269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.178269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.178269 (E_RNA)
where:
Base-Base interactions energy: -53.793
where: short stacking energy: -47.465
Base-Backbone interact. energy: -1.127
local terms energy: -95.258267
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -33.593
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: 8.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -566.629761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.629761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.629761 (E_RNA)
where:
Base-Base interactions energy: -378.434
where: short stacking energy: -170.228
Base-Backbone interact. energy: 1.160
local terms energy: -189.355767
where:
bonds (distance) C4'-P energy: -35.651
bonds (distance) P-C4' energy: -33.501
flat angles C4'-P-C4' energy: -37.384
flat angles P-C4'-P energy: -27.866
tors. eta vs tors. theta energy: -54.953
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: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -534.560925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.560925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.560925 (E_RNA)
where:
Base-Base interactions energy: -334.991
where: short stacking energy: -159.132
Base-Backbone interact. energy: 0.228
local terms energy: -199.797935
where:
bonds (distance) C4'-P energy: -36.144
bonds (distance) P-C4' energy: -35.871
flat angles C4'-P-C4' energy: -43.981
flat angles P-C4'-P energy: -28.194
tors. eta vs tors. theta energy: -55.608
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: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -518.430719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.430719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.430719 (E_RNA)
where:
Base-Base interactions energy: -350.386
where: short stacking energy: -129.520
Base-Backbone interact. energy: 1.576
local terms energy: -169.620972
where:
bonds (distance) C4'-P energy: -28.639
bonds (distance) P-C4' energy: -36.697
flat angles C4'-P-C4' energy: -35.841
flat angles P-C4'-P energy: -25.875
tors. eta vs tors. theta energy: -42.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -464.618740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.618740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.618740 (E_RNA)
where:
Base-Base interactions energy: -302.911
where: short stacking energy: -134.121
Base-Backbone interact. energy: -0.131
local terms energy: -161.576926
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -32.981
flat angles C4'-P-C4' energy: -33.321
flat angles P-C4'-P energy: -23.392
tors. eta vs tors. theta energy: -39.499
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: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -444.265172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.265172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.265172 (E_RNA)
where:
Base-Base interactions energy: -282.093
where: short stacking energy: -115.878
Base-Backbone interact. energy: 0.838
local terms energy: -163.010167
where:
bonds (distance) C4'-P energy: -32.261
bonds (distance) P-C4' energy: -38.519
flat angles C4'-P-C4' energy: -37.871
flat angles P-C4'-P energy: -22.833
tors. eta vs tors. theta energy: -31.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -286.082392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.082392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.082392 (E_RNA)
where:
Base-Base interactions energy: -150.580
where: short stacking energy: -80.669
Base-Backbone interact. energy: -0.323
local terms energy: -135.179460
where:
bonds (distance) C4'-P energy: -31.864
bonds (distance) P-C4' energy: -35.682
flat angles C4'-P-C4' energy: -27.420
flat angles P-C4'-P energy: -27.615
tors. eta vs tors. theta energy: -12.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -366.336337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.336337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.336337 (E_RNA)
where:
Base-Base interactions energy: -232.410
where: short stacking energy: -96.815
Base-Backbone interact. energy: -0.365
local terms energy: -133.561884
where:
bonds (distance) C4'-P energy: -32.035
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -37.188
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -23.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -182.588464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.588464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.588464 (E_RNA)
where:
Base-Base interactions energy: -86.623
where: short stacking energy: -54.363
Base-Backbone interact. energy: -1.602
local terms energy: -94.363065
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -29.770
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: 2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -168.281795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.281795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.281795 (E_RNA)
where:
Base-Base interactions energy: -44.631
where: short stacking energy: -43.661
Base-Backbone interact. energy: -0.617
local terms energy: -123.033228
where:
bonds (distance) C4'-P energy: -31.031
bonds (distance) P-C4' energy: -38.245
flat angles C4'-P-C4' energy: -26.890
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -150.706000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.706000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.706000 (E_RNA)
where:
Base-Base interactions energy: -72.785
where: short stacking energy: -47.533
Base-Backbone interact. energy: -1.293
local terms energy: -76.628287
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: 5.659
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: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -570.457581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.457581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.457581 (E_RNA)
where:
Base-Base interactions energy: -378.464
where: short stacking energy: -166.497
Base-Backbone interact. energy: 0.423
local terms energy: -192.416168
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -36.397
flat angles C4'-P-C4' energy: -41.299
flat angles P-C4'-P energy: -27.685
tors. eta vs tors. theta energy: -53.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -528.461302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.461302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.461302 (E_RNA)
where:
Base-Base interactions energy: -369.690
where: short stacking energy: -135.548
Base-Backbone interact. energy: -0.163
local terms energy: -158.608407
where:
bonds (distance) C4'-P energy: -34.852
bonds (distance) P-C4' energy: -34.422
flat angles C4'-P-C4' energy: -33.766
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -40.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -524.067603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.067603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.067603 (E_RNA)
where:
Base-Base interactions energy: -338.353
where: short stacking energy: -160.221
Base-Backbone interact. energy: 1.661
local terms energy: -187.375331
where:
bonds (distance) C4'-P energy: -30.817
bonds (distance) P-C4' energy: -28.973
flat angles C4'-P-C4' energy: -40.987
flat angles P-C4'-P energy: -29.628
tors. eta vs tors. theta energy: -56.970
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: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -474.426599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.426599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.426599 (E_RNA)
where:
Base-Base interactions energy: -307.295
where: short stacking energy: -143.017
Base-Backbone interact. energy: -0.362
local terms energy: -166.769694
where:
bonds (distance) C4'-P energy: -37.138
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -29.344
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -39.432
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: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -447.005140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.005140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.005140 (E_RNA)
where:
Base-Base interactions energy: -303.973
where: short stacking energy: -131.766
Base-Backbone interact. energy: -0.251
local terms energy: -142.781707
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -23.789
flat angles C4'-P-C4' energy: -39.129
flat angles P-C4'-P energy: -22.356
tors. eta vs tors. theta energy: -36.461
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: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -374.357314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.357314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.357314 (E_RNA)
where:
Base-Base interactions energy: -229.390
where: short stacking energy: -109.991
Base-Backbone interact. energy: 2.607
local terms energy: -147.575000
where:
bonds (distance) C4'-P energy: -34.775
bonds (distance) P-C4' energy: -27.366
flat angles C4'-P-C4' energy: -28.775
flat angles P-C4'-P energy: -27.178
tors. eta vs tors. theta energy: -29.481
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: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -238.417340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.417340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.417340 (E_RNA)
where:
Base-Base interactions energy: -114.981
where: short stacking energy: -71.269
Base-Backbone interact. energy: -0.368
local terms energy: -123.068557
where:
bonds (distance) C4'-P energy: -32.733
bonds (distance) P-C4' energy: -33.343
flat angles C4'-P-C4' energy: -35.448
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -6.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -191.814118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.814118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.814118 (E_RNA)
where:
Base-Base interactions energy: -81.189
where: short stacking energy: -56.277
Base-Backbone interact. energy: 0.678
local terms energy: -111.302679
where:
bonds (distance) C4'-P energy: -32.385
bonds (distance) P-C4' energy: -33.626
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -8.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -159.806678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.806678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.806678 (E_RNA)
where:
Base-Base interactions energy: -59.271
where: short stacking energy: -36.290
Base-Backbone interact. energy: 0.032
local terms energy: -100.568549
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -29.887
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: 2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -144.691637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.691637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.691637 (E_RNA)
where:
Base-Base interactions energy: -50.336
where: short stacking energy: -48.914
Base-Backbone interact. energy: -0.816
local terms energy: -93.539773
where:
bonds (distance) C4'-P energy: -29.323
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -26.291
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: 4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -539.267770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.267770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.267770 (E_RNA)
where:
Base-Base interactions energy: -366.682
where: short stacking energy: -148.272
Base-Backbone interact. energy: 1.410
local terms energy: -173.995538
where:
bonds (distance) C4'-P energy: -33.996
bonds (distance) P-C4' energy: -36.851
flat angles C4'-P-C4' energy: -37.108
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -43.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -565.569801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.569801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.569801 (E_RNA)
where:
Base-Base interactions energy: -376.865
where: short stacking energy: -163.523
Base-Backbone interact. energy: -0.181
local terms energy: -188.523811
where:
bonds (distance) C4'-P energy: -33.145
bonds (distance) P-C4' energy: -35.071
flat angles C4'-P-C4' energy: -40.854
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: -53.511
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: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -476.392710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.392710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.392710 (E_RNA)
where:
Base-Base interactions energy: -303.377
where: short stacking energy: -128.411
Base-Backbone interact. energy: -0.825
local terms energy: -172.190751
where:
bonds (distance) C4'-P energy: -38.542
bonds (distance) P-C4' energy: -33.194
flat angles C4'-P-C4' energy: -36.386
flat angles P-C4'-P energy: -22.480
tors. eta vs tors. theta energy: -41.590
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: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -521.045032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.045032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.045032 (E_RNA)
where:
Base-Base interactions energy: -333.320
where: short stacking energy: -165.197
Base-Backbone interact. energy: -0.298
local terms energy: -187.426637
where:
bonds (distance) C4'-P energy: -33.072
bonds (distance) P-C4' energy: -33.766
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -27.433
tors. eta vs tors. theta energy: -59.781
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: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -381.829711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.829711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.829711 (E_RNA)
where:
Base-Base interactions energy: -222.981
where: short stacking energy: -121.921
Base-Backbone interact. energy: -0.866
local terms energy: -157.982439
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -35.076
flat angles C4'-P-C4' energy: -33.591
flat angles P-C4'-P energy: -29.400
tors. eta vs tors. theta energy: -35.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -366.787461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.787461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.787461 (E_RNA)
where:
Base-Base interactions energy: -218.039
where: short stacking energy: -97.772
Base-Backbone interact. energy: -0.087
local terms energy: -148.660856
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -30.923
flat angles C4'-P-C4' energy: -36.276
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -30.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -249.467394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.467394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.467394 (E_RNA)
where:
Base-Base interactions energy: -137.784
where: short stacking energy: -70.978
Base-Backbone interact. energy: -0.107
local terms energy: -111.576602
where:
bonds (distance) C4'-P energy: -28.455
bonds (distance) P-C4' energy: -27.998
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -187.538293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.538293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.538293 (E_RNA)
where:
Base-Base interactions energy: -93.915
where: short stacking energy: -47.284
Base-Backbone interact. energy: -0.833
local terms energy: -92.790229
where:
bonds (distance) C4'-P energy: -28.534
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -29.558
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: 0.536
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: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -171.897131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.897131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.897131 (E_RNA)
where:
Base-Base interactions energy: -62.513
where: short stacking energy: -50.902
Base-Backbone interact. energy: -0.125
local terms energy: -109.259372
where:
bonds (distance) C4'-P energy: -28.887
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -26.670
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -144.940984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.940984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.940984 (E_RNA)
where:
Base-Base interactions energy: -45.887
where: short stacking energy: -45.728
Base-Backbone interact. energy: -0.483
local terms energy: -98.570616
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -25.391
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -534.843467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.843467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.843467 (E_RNA)
where:
Base-Base interactions energy: -358.174
where: short stacking energy: -125.031
Base-Backbone interact. energy: -0.593
local terms energy: -176.076638
where:
bonds (distance) C4'-P energy: -32.888
bonds (distance) P-C4' energy: -35.532
flat angles C4'-P-C4' energy: -39.013
flat angles P-C4'-P energy: -25.001
tors. eta vs tors. theta energy: -43.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -564.276152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.276152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.276152 (E_RNA)
where:
Base-Base interactions energy: -376.940
where: short stacking energy: -158.344
Base-Backbone interact. energy: -0.400
local terms energy: -186.935926
where:
bonds (distance) C4'-P energy: -34.221
bonds (distance) P-C4' energy: -35.594
flat angles C4'-P-C4' energy: -38.862
flat angles P-C4'-P energy: -24.408
tors. eta vs tors. theta energy: -53.850
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: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -483.483335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.483335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.483335 (E_RNA)
where:
Base-Base interactions energy: -313.477
where: short stacking energy: -133.990
Base-Backbone interact. energy: -0.301
local terms energy: -169.704771
where:
bonds (distance) C4'-P energy: -34.278
bonds (distance) P-C4' energy: -35.719
flat angles C4'-P-C4' energy: -33.608
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -43.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -502.663355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.663355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.663355 (E_RNA)
where:
Base-Base interactions energy: -332.579
where: short stacking energy: -156.736
Base-Backbone interact. energy: -0.521
local terms energy: -169.563218
where:
bonds (distance) C4'-P energy: -27.442
bonds (distance) P-C4' energy: -38.582
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -50.824
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: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -380.460750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.460750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.460750 (E_RNA)
where:
Base-Base interactions energy: -217.673
where: short stacking energy: -112.424
Base-Backbone interact. energy: 0.036
local terms energy: -162.824183
where:
bonds (distance) C4'-P energy: -35.194
bonds (distance) P-C4' energy: -29.735
flat angles C4'-P-C4' energy: -39.216
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -35.181
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: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -364.383616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.383616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.383616 (E_RNA)
where:
Base-Base interactions energy: -228.720
where: short stacking energy: -104.247
Base-Backbone interact. energy: -0.121
local terms energy: -135.542309
where:
bonds (distance) C4'-P energy: -32.107
bonds (distance) P-C4' energy: -29.731
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -27.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -192.918190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.918190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.918190 (E_RNA)
where:
Base-Base interactions energy: -86.407
where: short stacking energy: -46.544
Base-Backbone interact. energy: 1.106
local terms energy: -107.616940
where:
bonds (distance) C4'-P energy: -27.800
bonds (distance) P-C4' energy: -36.017
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -190.358730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.358730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.358730 (E_RNA)
where:
Base-Base interactions energy: -81.093
where: short stacking energy: -53.727
Base-Backbone interact. energy: -0.138
local terms energy: -109.128249
where:
bonds (distance) C4'-P energy: -34.782
bonds (distance) P-C4' energy: -34.644
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: 2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -162.683030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.683030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.683030 (E_RNA)
where:
Base-Base interactions energy: -58.600
where: short stacking energy: -46.351
Base-Backbone interact. energy: -0.415
local terms energy: -103.668130
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -35.995
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: 5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -150.977545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.977545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.977545 (E_RNA)
where:
Base-Base interactions energy: -54.920
where: short stacking energy: -53.918
Base-Backbone interact. energy: 0.829
local terms energy: -96.886001
where:
bonds (distance) C4'-P energy: -31.300
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -30.423
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: 2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -574.120682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.120682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.120682 (E_RNA)
where:
Base-Base interactions energy: -388.972
where: short stacking energy: -161.923
Base-Backbone interact. energy: -0.044
local terms energy: -185.104974
where:
bonds (distance) C4'-P energy: -33.417
bonds (distance) P-C4' energy: -38.752
flat angles C4'-P-C4' energy: -41.196
flat angles P-C4'-P energy: -19.108
tors. eta vs tors. theta energy: -52.633
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: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -527.392983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.392983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.392983 (E_RNA)
where:
Base-Base interactions energy: -361.837
where: short stacking energy: -140.339
Base-Backbone interact. energy: -1.130
local terms energy: -164.425313
where:
bonds (distance) C4'-P energy: -36.857
bonds (distance) P-C4' energy: -36.777
flat angles C4'-P-C4' energy: -34.133
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -43.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -508.544703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.544703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.544703 (E_RNA)
where:
Base-Base interactions energy: -328.565
where: short stacking energy: -147.429
Base-Backbone interact. energy: 0.080
local terms energy: -180.060325
where:
bonds (distance) C4'-P energy: -35.139
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -33.895
flat angles P-C4'-P energy: -29.469
tors. eta vs tors. theta energy: -48.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -483.730552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.730552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.730552 (E_RNA)
where:
Base-Base interactions energy: -317.087
where: short stacking energy: -136.008
Base-Backbone interact. energy: -0.247
local terms energy: -166.396541
where:
bonds (distance) C4'-P energy: -25.393
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -38.083
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: -42.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -385.511356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.511356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.511356 (E_RNA)
where:
Base-Base interactions energy: -231.285
where: short stacking energy: -110.171
Base-Backbone interact. energy: 2.853
local terms energy: -157.079048
where:
bonds (distance) C4'-P energy: -34.198
bonds (distance) P-C4' energy: -35.947
flat angles C4'-P-C4' energy: -35.697
flat angles P-C4'-P energy: -24.565
tors. eta vs tors. theta energy: -26.672
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: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -354.020688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.020688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.020688 (E_RNA)
where:
Base-Base interactions energy: -226.214
where: short stacking energy: -107.094
Base-Backbone interact. energy: -0.615
local terms energy: -127.191912
where:
bonds (distance) C4'-P energy: -27.918
bonds (distance) P-C4' energy: -32.090
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -173.649689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.649689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.649689 (E_RNA)
where:
Base-Base interactions energy: -60.327
where: short stacking energy: -38.913
Base-Backbone interact. energy: -0.529
local terms energy: -112.793832
where:
bonds (distance) C4'-P energy: -30.854
bonds (distance) P-C4' energy: -33.498
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -21.799
tors. eta vs tors. theta energy: 1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -174.766449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.766449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.766449 (E_RNA)
where:
Base-Base interactions energy: -58.890
where: short stacking energy: -51.279
Base-Backbone interact. energy: -0.321
local terms energy: -115.555100
where:
bonds (distance) C4'-P energy: -26.676
bonds (distance) P-C4' energy: -34.130
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -8.756
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: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -182.797828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.797828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.797828 (E_RNA)
where:
Base-Base interactions energy: -74.106
where: short stacking energy: -48.898
Base-Backbone interact. energy: 1.393
local terms energy: -110.085414
where:
bonds (distance) C4'-P energy: -33.299
bonds (distance) P-C4' energy: -30.336
flat angles C4'-P-C4' energy: -34.666
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: 3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -149.124588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.124588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.124588 (E_RNA)
where:
Base-Base interactions energy: -54.153
where: short stacking energy: -39.581
Base-Backbone interact. energy: 2.356
local terms energy: -97.327673
where:
bonds (distance) C4'-P energy: -24.239
bonds (distance) P-C4' energy: -28.891
flat angles C4'-P-C4' energy: -29.121
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: 0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -565.750782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.750782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.750782 (E_RNA)
where:
Base-Base interactions energy: -387.353
where: short stacking energy: -173.346
Base-Backbone interact. energy: 1.292
local terms energy: -179.689306
where:
bonds (distance) C4'-P energy: -34.193
bonds (distance) P-C4' energy: -28.511
flat angles C4'-P-C4' energy: -38.106
flat angles P-C4'-P energy: -25.654
tors. eta vs tors. theta energy: -53.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -508.732513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.732513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.732513 (E_RNA)
where:
Base-Base interactions energy: -346.033
where: short stacking energy: -135.088
Base-Backbone interact. energy: -2.559
local terms energy: -160.140842
where:
bonds (distance) C4'-P energy: -34.674
bonds (distance) P-C4' energy: -35.662
flat angles C4'-P-C4' energy: -34.379
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -39.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -502.793350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.793350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.793350 (E_RNA)
where:
Base-Base interactions energy: -328.753
where: short stacking energy: -157.865
Base-Backbone interact. energy: -0.969
local terms energy: -173.071972
where:
bonds (distance) C4'-P energy: -31.656
bonds (distance) P-C4' energy: -36.988
flat angles C4'-P-C4' energy: -34.534
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -49.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -463.609409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.609409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.609409 (E_RNA)
where:
Base-Base interactions energy: -296.598
where: short stacking energy: -137.182
Base-Backbone interact. energy: 1.408
local terms energy: -168.419746
where:
bonds (distance) C4'-P energy: -33.282
bonds (distance) P-C4' energy: -29.552
flat angles C4'-P-C4' energy: -36.375
flat angles P-C4'-P energy: -27.034
tors. eta vs tors. theta energy: -42.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -382.951548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.951548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.951548 (E_RNA)
where:
Base-Base interactions energy: -233.668
where: short stacking energy: -100.374
Base-Backbone interact. energy: 0.384
local terms energy: -149.668119
where:
bonds (distance) C4'-P energy: -34.475
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -25.417
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: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -314.228567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.228567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.228567 (E_RNA)
where:
Base-Base interactions energy: -189.417
where: short stacking energy: -75.184
Base-Backbone interact. energy: -0.284
local terms energy: -124.528015
where:
bonds (distance) C4'-P energy: -26.615
bonds (distance) P-C4' energy: -35.728
flat angles C4'-P-C4' energy: -34.973
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -179.393479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.393479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.393479 (E_RNA)
where:
Base-Base interactions energy: -70.341
where: short stacking energy: -41.999
Base-Backbone interact. energy: -1.033
local terms energy: -108.019738
where:
bonds (distance) C4'-P energy: -35.628
bonds (distance) P-C4' energy: -34.077
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: 9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -164.120414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.120414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.120414 (E_RNA)
where:
Base-Base interactions energy: -50.320
where: short stacking energy: -48.140
Base-Backbone interact. energy: -0.548
local terms energy: -113.252589
where:
bonds (distance) C4'-P energy: -31.660
bonds (distance) P-C4' energy: -29.519
flat angles C4'-P-C4' energy: -28.973
flat angles P-C4'-P energy: -17.793
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: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -160.219707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.219707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.219707 (E_RNA)
where:
Base-Base interactions energy: -50.006
where: short stacking energy: -41.667
Base-Backbone interact. energy: -0.359
local terms energy: -109.854602
where:
bonds (distance) C4'-P energy: -34.907
bonds (distance) P-C4' energy: -32.939
flat angles C4'-P-C4' energy: -32.844
flat angles P-C4'-P energy: -12.659
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: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -148.329897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.329897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.329897 (E_RNA)
where:
Base-Base interactions energy: -57.945
where: short stacking energy: -43.801
Base-Backbone interact. energy: -0.328
local terms energy: -90.056474
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -32.998
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: 8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -565.060712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.060712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.060712 (E_RNA)
where:
Base-Base interactions energy: -382.830
where: short stacking energy: -172.985
Base-Backbone interact. energy: -0.614
local terms energy: -181.616739
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -32.596
flat angles C4'-P-C4' energy: -35.281
flat angles P-C4'-P energy: -28.217
tors. eta vs tors. theta energy: -53.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -518.451251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.451251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.451251 (E_RNA)
where:
Base-Base interactions energy: -353.576
where: short stacking energy: -122.541
Base-Backbone interact. energy: -1.914
local terms energy: -162.961491
where:
bonds (distance) C4'-P energy: -31.496
bonds (distance) P-C4' energy: -41.042
flat angles C4'-P-C4' energy: -31.715
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -38.990
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: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -502.910238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.910238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.910238 (E_RNA)
where:
Base-Base interactions energy: -320.282
where: short stacking energy: -142.281
Base-Backbone interact. energy: -0.103
local terms energy: -182.525352
where:
bonds (distance) C4'-P energy: -36.725
bonds (distance) P-C4' energy: -38.007
flat angles C4'-P-C4' energy: -34.021
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -52.525
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: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -473.578418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.578418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.578418 (E_RNA)
where:
Base-Base interactions energy: -302.095
where: short stacking energy: -122.023
Base-Backbone interact. energy: -0.496
local terms energy: -170.986940
where:
bonds (distance) C4'-P energy: -35.950
bonds (distance) P-C4' energy: -36.566
flat angles C4'-P-C4' energy: -31.491
flat angles P-C4'-P energy: -27.551
tors. eta vs tors. theta energy: -39.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -387.307615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.307615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.307615 (E_RNA)
where:
Base-Base interactions energy: -240.316
where: short stacking energy: -113.119
Base-Backbone interact. energy: 1.206
local terms energy: -148.198028
where:
bonds (distance) C4'-P energy: -34.711
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -35.957
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -31.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -332.309741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.309741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.309741 (E_RNA)
where:
Base-Base interactions energy: -208.132
where: short stacking energy: -92.111
Base-Backbone interact. energy: -0.782
local terms energy: -123.396004
where:
bonds (distance) C4'-P energy: -33.662
bonds (distance) P-C4' energy: -25.202
flat angles C4'-P-C4' energy: -33.673
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -11.330
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: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -176.408103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.408103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.408103 (E_RNA)
where:
Base-Base interactions energy: -66.574
where: short stacking energy: -49.255
Base-Backbone interact. energy: 0.373
local terms energy: -110.207722
where:
bonds (distance) C4'-P energy: -30.832
bonds (distance) P-C4' energy: -39.633
flat angles C4'-P-C4' energy: -22.013
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: 2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -162.135953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.135953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.135953 (E_RNA)
where:
Base-Base interactions energy: -56.973
where: short stacking energy: -53.496
Base-Backbone interact. energy: -0.394
local terms energy: -104.769687
where:
bonds (distance) C4'-P energy: -33.277
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -20.361
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -160.228514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.228514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.228514 (E_RNA)
where:
Base-Base interactions energy: -56.526
where: short stacking energy: -48.755
Base-Backbone interact. energy: 0.212
local terms energy: -103.914769
where:
bonds (distance) C4'-P energy: -29.644
bonds (distance) P-C4' energy: -31.564
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -150.167510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.167510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.167510 (E_RNA)
where:
Base-Base interactions energy: -44.078
where: short stacking energy: -38.184
Base-Backbone interact. energy: -0.234
local terms energy: -105.855365
where:
bonds (distance) C4'-P energy: -26.013
bonds (distance) P-C4' energy: -38.171
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: 0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -567.696683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.696683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.696683 (E_RNA)
where:
Base-Base interactions energy: -378.236
where: short stacking energy: -155.676
Base-Backbone interact. energy: -0.185
local terms energy: -189.275399
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -32.401
flat angles C4'-P-C4' energy: -39.089
flat angles P-C4'-P energy: -27.758
tors. eta vs tors. theta energy: -56.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -549.911094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.911094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.911094 (E_RNA)
where:
Base-Base interactions energy: -356.727
where: short stacking energy: -174.126
Base-Backbone interact. energy: -0.065
local terms energy: -193.119068
where:
bonds (distance) C4'-P energy: -35.552
bonds (distance) P-C4' energy: -37.749
flat angles C4'-P-C4' energy: -38.356
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -59.472
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: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -502.353870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.353870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.353870 (E_RNA)
where:
Base-Base interactions energy: -341.747
where: short stacking energy: -129.962
Base-Backbone interact. energy: -0.649
local terms energy: -159.958785
where:
bonds (distance) C4'-P energy: -31.288
bonds (distance) P-C4' energy: -31.191
flat angles C4'-P-C4' energy: -37.568
flat angles P-C4'-P energy: -21.776
tors. eta vs tors. theta energy: -38.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -460.092325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.092325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.092325 (E_RNA)
where:
Base-Base interactions energy: -302.319
where: short stacking energy: -120.883
Base-Backbone interact. energy: -0.153
local terms energy: -157.620119
where:
bonds (distance) C4'-P energy: -28.418
bonds (distance) P-C4' energy: -33.630
flat angles C4'-P-C4' energy: -33.599
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -39.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -426.025759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.025759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.025759 (E_RNA)
where:
Base-Base interactions energy: -267.119
where: short stacking energy: -128.757
Base-Backbone interact. energy: -0.214
local terms energy: -158.692567
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -29.346
flat angles C4'-P-C4' energy: -35.935
flat angles P-C4'-P energy: -27.215
tors. eta vs tors. theta energy: -35.633
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: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -260.779618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.779618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.779618 (E_RNA)
where:
Base-Base interactions energy: -140.455
where: short stacking energy: -72.957
Base-Backbone interact. energy: -0.223
local terms energy: -120.101589
where:
bonds (distance) C4'-P energy: -29.110
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -33.465
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -173.950864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.950864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.950864 (E_RNA)
where:
Base-Base interactions energy: -54.589
where: short stacking energy: -53.613
Base-Backbone interact. energy: 2.843
local terms energy: -122.204981
where:
bonds (distance) C4'-P energy: -35.113
bonds (distance) P-C4' energy: -29.950
flat angles C4'-P-C4' energy: -30.488
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -174.213130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.213130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.213130 (E_RNA)
where:
Base-Base interactions energy: -62.786
where: short stacking energy: -58.309
Base-Backbone interact. energy: -1.262
local terms energy: -110.165651
where:
bonds (distance) C4'-P energy: -27.934
bonds (distance) P-C4' energy: -36.208
flat angles C4'-P-C4' energy: -27.962
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -6.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -152.932931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.932931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.932931 (E_RNA)
where:
Base-Base interactions energy: -45.370
where: short stacking energy: -41.873
Base-Backbone interact. energy: 1.758
local terms energy: -109.320895
where:
bonds (distance) C4'-P energy: -34.045
bonds (distance) P-C4' energy: -36.309
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: 1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -150.450594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.450594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.450594 (E_RNA)
where:
Base-Base interactions energy: -42.427
where: short stacking energy: -42.962
Base-Backbone interact. energy: -0.489
local terms energy: -107.534806
where:
bonds (distance) C4'-P energy: -39.624
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -577.686967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.686967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.686967 (E_RNA)
where:
Base-Base interactions energy: -396.932
where: short stacking energy: -155.848
Base-Backbone interact. energy: -0.498
local terms energy: -180.257181
where:
bonds (distance) C4'-P energy: -37.302
bonds (distance) P-C4' energy: -29.586
flat angles C4'-P-C4' energy: -39.736
flat angles P-C4'-P energy: -26.483
tors. eta vs tors. theta energy: -47.150
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: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -528.701780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.701780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.701780 (E_RNA)
where:
Base-Base interactions energy: -344.825
where: short stacking energy: -171.138
Base-Backbone interact. energy: -0.023
local terms energy: -183.853263
where:
bonds (distance) C4'-P energy: -26.968
bonds (distance) P-C4' energy: -35.031
flat angles C4'-P-C4' energy: -37.348
flat angles P-C4'-P energy: -24.909
tors. eta vs tors. theta energy: -59.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -483.213380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.213380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.213380 (E_RNA)
where:
Base-Base interactions energy: -322.008
where: short stacking energy: -126.665
Base-Backbone interact. energy: -0.243
local terms energy: -160.962216
where:
bonds (distance) C4'-P energy: -36.582
bonds (distance) P-C4' energy: -35.253
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -33.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -472.295334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.295334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.295334 (E_RNA)
where:
Base-Base interactions energy: -322.435
where: short stacking energy: -141.440
Base-Backbone interact. energy: -0.274
local terms energy: -149.585804
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -32.585
flat angles C4'-P-C4' energy: -30.710
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -38.120
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: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -437.729430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.729430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.729430 (E_RNA)
where:
Base-Base interactions energy: -280.607
where: short stacking energy: -122.168
Base-Backbone interact. energy: -0.355
local terms energy: -156.768375
where:
bonds (distance) C4'-P energy: -31.226
bonds (distance) P-C4' energy: -29.067
flat angles C4'-P-C4' energy: -36.641
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -44.939
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: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -247.203068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.203068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.203068 (E_RNA)
where:
Base-Base interactions energy: -132.394
where: short stacking energy: -65.605
Base-Backbone interact. energy: -0.438
local terms energy: -114.370807
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -34.618
flat angles C4'-P-C4' energy: -28.829
flat angles P-C4'-P energy: -22.296
tors. eta vs tors. theta energy: 0.258
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: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -196.700647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.700647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.700647 (E_RNA)
where:
Base-Base interactions energy: -81.640
where: short stacking energy: -68.918
Base-Backbone interact. energy: -0.378
local terms energy: -114.682436
where:
bonds (distance) C4'-P energy: -33.549
bonds (distance) P-C4' energy: -30.482
flat angles C4'-P-C4' energy: -27.432
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -185.638510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.638510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.638510 (E_RNA)
where:
Base-Base interactions energy: -78.465
where: short stacking energy: -61.670
Base-Backbone interact. energy: 0.478
local terms energy: -107.651648
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -30.317
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -12.365
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: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -164.804992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.804992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.804992 (E_RNA)
where:
Base-Base interactions energy: -50.505
where: short stacking energy: -46.951
Base-Backbone interact. energy: -0.281
local terms energy: -114.019327
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -37.101
flat angles C4'-P-C4' energy: -33.101
flat angles P-C4'-P energy: -17.593
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -144.732142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.732142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.732142 (E_RNA)
where:
Base-Base interactions energy: -57.494
where: short stacking energy: -48.011
Base-Backbone interact. energy: -2.504
local terms energy: -84.733795
where:
bonds (distance) C4'-P energy: -27.793
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: 4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -566.340772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.340772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.340772 (E_RNA)
where:
Base-Base interactions energy: -380.726
where: short stacking energy: -167.471
Base-Backbone interact. energy: 2.488
local terms energy: -188.102919
where:
bonds (distance) C4'-P energy: -33.652
bonds (distance) P-C4' energy: -32.114
flat angles C4'-P-C4' energy: -39.040
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: -57.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -538.782329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.782329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.782329 (E_RNA)
where:
Base-Base interactions energy: -339.486
where: short stacking energy: -165.521
Base-Backbone interact. energy: -0.297
local terms energy: -198.999228
where:
bonds (distance) C4'-P energy: -42.850
bonds (distance) P-C4' energy: -34.760
flat angles C4'-P-C4' energy: -41.066
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: -55.856
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: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -501.045956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.045956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.045956 (E_RNA)
where:
Base-Base interactions energy: -336.014
where: short stacking energy: -127.830
Base-Backbone interact. energy: -1.825
local terms energy: -163.206890
where:
bonds (distance) C4'-P energy: -32.257
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -39.206
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -39.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -424.972437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.972437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.972437 (E_RNA)
where:
Base-Base interactions energy: -282.440
where: short stacking energy: -119.827
Base-Backbone interact. energy: -0.131
local terms energy: -142.401528
where:
bonds (distance) C4'-P energy: -35.772
bonds (distance) P-C4' energy: -30.912
flat angles C4'-P-C4' energy: -28.822
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -29.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -448.900924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.900924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.900924 (E_RNA)
where:
Base-Base interactions energy: -286.833
where: short stacking energy: -131.816
Base-Backbone interact. energy: -0.703
local terms energy: -161.364993
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -35.307
flat angles C4'-P-C4' energy: -32.378
flat angles P-C4'-P energy: -26.803
tors. eta vs tors. theta energy: -37.898
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: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -219.923747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.923747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.923747 (E_RNA)
where:
Base-Base interactions energy: -104.849
where: short stacking energy: -56.588
Base-Backbone interact. energy: -1.100
local terms energy: -113.975139
where:
bonds (distance) C4'-P energy: -34.449
bonds (distance) P-C4' energy: -34.472
flat angles C4'-P-C4' energy: -26.998
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -266.633244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.633244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.633244 (E_RNA)
where:
Base-Base interactions energy: -134.342
where: short stacking energy: -60.448
Base-Backbone interact. energy: 0.783
local terms energy: -133.074068
where:
bonds (distance) C4'-P energy: -35.221
bonds (distance) P-C4' energy: -35.276
flat angles C4'-P-C4' energy: -33.386
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -163.233114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.233114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.233114 (E_RNA)
where:
Base-Base interactions energy: -57.540
where: short stacking energy: -50.602
Base-Backbone interact. energy: -0.373
local terms energy: -105.320794
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -29.372
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -161.912514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.912514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.912514 (E_RNA)
where:
Base-Base interactions energy: -52.810
where: short stacking energy: -32.556
Base-Backbone interact. energy: -0.687
local terms energy: -108.415661
where:
bonds (distance) C4'-P energy: -31.562
bonds (distance) P-C4' energy: -32.260
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: 2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -156.659112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.659112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.659112 (E_RNA)
where:
Base-Base interactions energy: -47.878
where: short stacking energy: -41.315
Base-Backbone interact. energy: -0.453
local terms energy: -108.327561
where:
bonds (distance) C4'-P energy: -39.084
bonds (distance) P-C4' energy: -29.198
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: 2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -573.900653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.900653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.900653 (E_RNA)
where:
Base-Base interactions energy: -376.746
where: short stacking energy: -168.600
Base-Backbone interact. energy: -0.122
local terms energy: -197.033021
where:
bonds (distance) C4'-P energy: -35.882
bonds (distance) P-C4' energy: -38.983
flat angles C4'-P-C4' energy: -39.414
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: -58.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -528.227734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.227734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.227734 (E_RNA)
where:
Base-Base interactions energy: -352.768
where: short stacking energy: -159.034
Base-Backbone interact. energy: 0.093
local terms energy: -175.552062
where:
bonds (distance) C4'-P energy: -33.243
bonds (distance) P-C4' energy: -30.063
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -29.953
tors. eta vs tors. theta energy: -47.919
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: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -465.114709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.114709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.114709 (E_RNA)
where:
Base-Base interactions energy: -295.569
where: short stacking energy: -130.474
Base-Backbone interact. energy: -0.951
local terms energy: -168.594072
where:
bonds (distance) C4'-P energy: -30.000
bonds (distance) P-C4' energy: -35.092
flat angles C4'-P-C4' energy: -34.656
flat angles P-C4'-P energy: -25.506
tors. eta vs tors. theta energy: -43.340
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: 264
Temperature: 1.050000
Total energy: -470.202286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.202286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.202286 (E_RNA)
where:
Base-Base interactions energy: -322.024
where: short stacking energy: -118.995
Base-Backbone interact. energy: -0.552
local terms energy: -147.626711
where:
bonds (distance) C4'-P energy: -30.273
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -23.057
tors. eta vs tors. theta energy: -32.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -447.824120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.824120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.824120 (E_RNA)
where:
Base-Base interactions energy: -290.180
where: short stacking energy: -126.823
Base-Backbone interact. energy: -0.211
local terms energy: -157.433170
where:
bonds (distance) C4'-P energy: -37.515
bonds (distance) P-C4' energy: -32.325
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -33.106
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: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -242.193235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.193235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.193235 (E_RNA)
where:
Base-Base interactions energy: -125.824
where: short stacking energy: -69.654
Base-Backbone interact. energy: -1.512
local terms energy: -114.856998
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -37.842
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -212.245608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.245608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.245608 (E_RNA)
where:
Base-Base interactions energy: -98.734
where: short stacking energy: -66.308
Base-Backbone interact. energy: 2.328
local terms energy: -115.839869
where:
bonds (distance) C4'-P energy: -34.643
bonds (distance) P-C4' energy: -32.458
flat angles C4'-P-C4' energy: -28.271
flat angles P-C4'-P energy: -18.570
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -213.623033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.623033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.623033 (E_RNA)
where:
Base-Base interactions energy: -100.231
where: short stacking energy: -50.488
Base-Backbone interact. energy: 0.983
local terms energy: -114.375095
where:
bonds (distance) C4'-P energy: -34.952
bonds (distance) P-C4' energy: -36.788
flat angles C4'-P-C4' energy: -23.363
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -164.957734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.957734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.957734 (E_RNA)
where:
Base-Base interactions energy: -60.644
where: short stacking energy: -55.970
Base-Backbone interact. energy: -0.817
local terms energy: -103.496907
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -158.226364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.226364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.226364 (E_RNA)
where:
Base-Base interactions energy: -52.543
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.125
local terms energy: -105.558300
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -36.664
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -15.334
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: 265
Temperature: 0.900000
Total energy: -561.074025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.074025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.074025 (E_RNA)
where:
Base-Base interactions energy: -370.215
where: short stacking energy: -154.778
Base-Backbone interact. energy: -0.117
local terms energy: -190.741809
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -36.499
flat angles C4'-P-C4' energy: -40.217
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -55.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -535.456201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.456201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.456201 (E_RNA)
where:
Base-Base interactions energy: -353.149
where: short stacking energy: -169.778
Base-Backbone interact. energy: -0.086
local terms energy: -182.221541
where:
bonds (distance) C4'-P energy: -32.046
bonds (distance) P-C4' energy: -33.740
flat angles C4'-P-C4' energy: -38.109
flat angles P-C4'-P energy: -24.832
tors. eta vs tors. theta energy: -53.495
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: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -448.670259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.670259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.670259 (E_RNA)
where:
Base-Base interactions energy: -276.060
where: short stacking energy: -130.290
Base-Backbone interact. energy: -0.751
local terms energy: -171.859220
where:
bonds (distance) C4'-P energy: -37.357
bonds (distance) P-C4' energy: -37.972
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -20.030
tors. eta vs tors. theta energy: -42.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -472.849377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.849377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.849377 (E_RNA)
where:
Base-Base interactions energy: -323.470
where: short stacking energy: -114.857
Base-Backbone interact. energy: -0.210
local terms energy: -149.169734
where:
bonds (distance) C4'-P energy: -34.644
bonds (distance) P-C4' energy: -29.966
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: -33.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -460.458773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.458773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.458773 (E_RNA)
where:
Base-Base interactions energy: -308.415
where: short stacking energy: -121.768
Base-Backbone interact. energy: -0.818
local terms energy: -151.225928
where:
bonds (distance) C4'-P energy: -32.593
bonds (distance) P-C4' energy: -35.740
flat angles C4'-P-C4' energy: -35.280
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -29.782
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: 265
Temperature: 1.150000
Total energy: -229.973964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.973964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.973964 (E_RNA)
where:
Base-Base interactions energy: -100.282
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.304
local terms energy: -129.387985
where:
bonds (distance) C4'-P energy: -36.039
bonds (distance) P-C4' energy: -35.386
flat angles C4'-P-C4' energy: -34.362
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -224.238139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.238139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.238139 (E_RNA)
where:
Base-Base interactions energy: -101.762
where: short stacking energy: -59.578
Base-Backbone interact. energy: -0.587
local terms energy: -121.888426
where:
bonds (distance) C4'-P energy: -31.504
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -30.336
flat angles P-C4'-P energy: -20.835
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -189.535237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.535237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.535237 (E_RNA)
where:
Base-Base interactions energy: -81.748
where: short stacking energy: -47.787
Base-Backbone interact. energy: -0.855
local terms energy: -106.932082
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -24.428
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -26.071
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -158.496118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.496118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.496118 (E_RNA)
where:
Base-Base interactions energy: -56.272
where: short stacking energy: -43.491
Base-Backbone interact. energy: 0.223
local terms energy: -102.446182
where:
bonds (distance) C4'-P energy: -34.712
bonds (distance) P-C4' energy: -34.114
flat angles C4'-P-C4' energy: -28.658
flat angles P-C4'-P energy: -2.109
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -143.422207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.422207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.422207 (E_RNA)
where:
Base-Base interactions energy: -39.410
where: short stacking energy: -38.847
Base-Backbone interact. energy: 1.949
local terms energy: -105.961119
where:
bonds (distance) C4'-P energy: -34.326
bonds (distance) P-C4' energy: -28.703
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: 0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -548.628616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.628616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.628616 (E_RNA)
where:
Base-Base interactions energy: -357.347
where: short stacking energy: -183.432
Base-Backbone interact. energy: 1.171
local terms energy: -192.453248
where:
bonds (distance) C4'-P energy: -35.339
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -39.479
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -58.780
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: 266
Temperature: 0.950000
Total energy: -546.482057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.482057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.482057 (E_RNA)
where:
Base-Base interactions energy: -373.469
where: short stacking energy: -159.698
Base-Backbone interact. energy: 2.001
local terms energy: -175.013990
where:
bonds (distance) C4'-P energy: -39.199
bonds (distance) P-C4' energy: -28.051
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -25.510
tors. eta vs tors. theta energy: -49.974
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: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -469.786403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.786403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.786403 (E_RNA)
where:
Base-Base interactions energy: -295.605
where: short stacking energy: -128.584
Base-Backbone interact. energy: -0.953
local terms energy: -173.228664
where:
bonds (distance) C4'-P energy: -37.243
bonds (distance) P-C4' energy: -34.059
flat angles C4'-P-C4' energy: -34.454
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -41.647
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: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -466.785604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.785604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.785604 (E_RNA)
where:
Base-Base interactions energy: -324.345
where: short stacking energy: -110.194
Base-Backbone interact. energy: -0.341
local terms energy: -142.099391
where:
bonds (distance) C4'-P energy: -29.374
bonds (distance) P-C4' energy: -37.053
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -22.304
tors. eta vs tors. theta energy: -29.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -476.537021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.537021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.537021 (E_RNA)
where:
Base-Base interactions energy: -308.745
where: short stacking energy: -132.614
Base-Backbone interact. energy: -0.438
local terms energy: -167.354068
where:
bonds (distance) C4'-P energy: -34.745
bonds (distance) P-C4' energy: -30.481
flat angles C4'-P-C4' energy: -34.465
flat angles P-C4'-P energy: -27.226
tors. eta vs tors. theta energy: -40.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -243.958076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.958076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.958076 (E_RNA)
where:
Base-Base interactions energy: -118.982
where: short stacking energy: -82.007
Base-Backbone interact. energy: -0.520
local terms energy: -124.455770
where:
bonds (distance) C4'-P energy: -29.118
bonds (distance) P-C4' energy: -28.358
flat angles C4'-P-C4' energy: -31.495
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -219.135831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.135831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.135831 (E_RNA)
where:
Base-Base interactions energy: -112.853
where: short stacking energy: -60.001
Base-Backbone interact. energy: -2.197
local terms energy: -104.085673
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -27.745
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -166.644557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.644557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.644557 (E_RNA)
where:
Base-Base interactions energy: -51.159
where: short stacking energy: -48.918
Base-Backbone interact. energy: 0.336
local terms energy: -115.821907
where:
bonds (distance) C4'-P energy: -40.063
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -156.621487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.621487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.621487 (E_RNA)
where:
Base-Base interactions energy: -50.971
where: short stacking energy: -42.911
Base-Backbone interact. energy: 1.753
local terms energy: -107.403373
where:
bonds (distance) C4'-P energy: -33.978
bonds (distance) P-C4' energy: -29.005
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -19.451
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: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -153.057819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.057819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.057819 (E_RNA)
where:
Base-Base interactions energy: -57.272
where: short stacking energy: -45.189
Base-Backbone interact. energy: 0.183
local terms energy: -95.969473
where:
bonds (distance) C4'-P energy: -31.991
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: 3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -560.347533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.347533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.347533 (E_RNA)
where:
Base-Base interactions energy: -374.415
where: short stacking energy: -180.128
Base-Backbone interact. energy: -0.686
local terms energy: -185.246550
where:
bonds (distance) C4'-P energy: -32.282
bonds (distance) P-C4' energy: -36.687
flat angles C4'-P-C4' energy: -35.017
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -62.729
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: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -560.302490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.302490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.302490 (E_RNA)
where:
Base-Base interactions energy: -376.467
where: short stacking energy: -155.254
Base-Backbone interact. energy: -1.179
local terms energy: -182.656413
where:
bonds (distance) C4'-P energy: -31.340
bonds (distance) P-C4' energy: -34.644
flat angles C4'-P-C4' energy: -40.156
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: -50.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -462.665445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.665445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.665445 (E_RNA)
where:
Base-Base interactions energy: -295.414
where: short stacking energy: -122.900
Base-Backbone interact. energy: 0.822
local terms energy: -168.074294
where:
bonds (distance) C4'-P energy: -32.707
bonds (distance) P-C4' energy: -36.947
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -25.277
tors. eta vs tors. theta energy: -38.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -481.960026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.960026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.960026 (E_RNA)
where:
Base-Base interactions energy: -324.464
where: short stacking energy: -145.756
Base-Backbone interact. energy: -0.308
local terms energy: -157.187546
where:
bonds (distance) C4'-P energy: -28.078
bonds (distance) P-C4' energy: -34.690
flat angles C4'-P-C4' energy: -34.718
flat angles P-C4'-P energy: -24.148
tors. eta vs tors. theta energy: -35.554
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: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -429.608076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.608076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.608076 (E_RNA)
where:
Base-Base interactions energy: -279.385
where: short stacking energy: -117.279
Base-Backbone interact. energy: 1.403
local terms energy: -151.625635
where:
bonds (distance) C4'-P energy: -34.876
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -36.111
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -32.302
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: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -245.367861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.367861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.367861 (E_RNA)
where:
Base-Base interactions energy: -128.466
where: short stacking energy: -75.997
Base-Backbone interact. energy: -1.144
local terms energy: -115.757744
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -25.479
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -22.877
tors. eta vs tors. theta energy: -13.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -242.126715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.126715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.126715 (E_RNA)
where:
Base-Base interactions energy: -120.012
where: short stacking energy: -73.686
Base-Backbone interact. energy: -0.714
local terms energy: -121.400884
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -35.187
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -167.407393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.407393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.407393 (E_RNA)
where:
Base-Base interactions energy: -68.148
where: short stacking energy: -50.404
Base-Backbone interact. energy: 0.595
local terms energy: -99.854484
where:
bonds (distance) C4'-P energy: -35.949
bonds (distance) P-C4' energy: -25.984
flat angles C4'-P-C4' energy: -26.423
flat angles P-C4'-P energy: -14.800
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: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -160.270872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.270872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.270872 (E_RNA)
where:
Base-Base interactions energy: -65.313
where: short stacking energy: -46.887
Base-Backbone interact. energy: -0.557
local terms energy: -94.400444
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -36.438
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: 2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -153.606963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.606963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.606963 (E_RNA)
where:
Base-Base interactions energy: -55.454
where: short stacking energy: -38.131
Base-Backbone interact. energy: -1.449
local terms energy: -96.704410
where:
bonds (distance) C4'-P energy: -29.026
bonds (distance) P-C4' energy: -34.442
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -3.960
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: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -558.003872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.003872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.003872 (E_RNA)
where:
Base-Base interactions energy: -361.938
where: short stacking energy: -181.647
Base-Backbone interact. energy: -0.004
local terms energy: -196.061503
where:
bonds (distance) C4'-P energy: -34.650
bonds (distance) P-C4' energy: -32.113
flat angles C4'-P-C4' energy: -39.209
flat angles P-C4'-P energy: -28.839
tors. eta vs tors. theta energy: -61.251
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: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -541.654791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.654791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.654791 (E_RNA)
where:
Base-Base interactions energy: -362.042
where: short stacking energy: -161.657
Base-Backbone interact. energy: -0.646
local terms energy: -178.966975
where:
bonds (distance) C4'-P energy: -37.797
bonds (distance) P-C4' energy: -28.187
flat angles C4'-P-C4' energy: -39.145
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: -50.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -499.820371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.820371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.820371 (E_RNA)
where:
Base-Base interactions energy: -331.785
where: short stacking energy: -151.710
Base-Backbone interact. energy: -0.412
local terms energy: -167.623250
where:
bonds (distance) C4'-P energy: -37.234
bonds (distance) P-C4' energy: -28.842
flat angles C4'-P-C4' energy: -33.830
flat angles P-C4'-P energy: -20.542
tors. eta vs tors. theta energy: -47.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -417.657479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.657479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.657479 (E_RNA)
where:
Base-Base interactions energy: -260.891
where: short stacking energy: -112.474
Base-Backbone interact. energy: -0.187
local terms energy: -156.579222
where:
bonds (distance) C4'-P energy: -29.260
bonds (distance) P-C4' energy: -37.487
flat angles C4'-P-C4' energy: -31.234
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -37.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -439.542259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.542259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.542259 (E_RNA)
where:
Base-Base interactions energy: -283.917
where: short stacking energy: -108.906
Base-Backbone interact. energy: -0.552
local terms energy: -155.072710
where:
bonds (distance) C4'-P energy: -40.130
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -27.320
flat angles P-C4'-P energy: -26.682
tors. eta vs tors. theta energy: -30.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -238.831248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.831248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.831248 (E_RNA)
where:
Base-Base interactions energy: -116.419
where: short stacking energy: -69.475
Base-Backbone interact. energy: -1.768
local terms energy: -120.644667
where:
bonds (distance) C4'-P energy: -28.695
bonds (distance) P-C4' energy: -32.470
flat angles C4'-P-C4' energy: -32.823
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -4.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -260.877745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.877745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.877745 (E_RNA)
where:
Base-Base interactions energy: -137.913
where: short stacking energy: -78.655
Base-Backbone interact. energy: -0.289
local terms energy: -122.675799
where:
bonds (distance) C4'-P energy: -36.917
bonds (distance) P-C4' energy: -31.029
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -168.423785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.423785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.423785 (E_RNA)
where:
Base-Base interactions energy: -77.906
where: short stacking energy: -60.756
Base-Backbone interact. energy: 0.040
local terms energy: -90.557633
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -27.550
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -21.430
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: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -161.063747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.063747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.063747 (E_RNA)
where:
Base-Base interactions energy: -67.463
where: short stacking energy: -36.465
Base-Backbone interact. energy: -0.988
local terms energy: -92.612920
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -26.334
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -136.199083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.199083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.199083 (E_RNA)
where:
Base-Base interactions energy: -49.315
where: short stacking energy: -29.219
Base-Backbone interact. energy: -1.283
local terms energy: -85.600657
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -34.603
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -15.168
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: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -549.843025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.843025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.843025 (E_RNA)
where:
Base-Base interactions energy: -359.742
where: short stacking energy: -179.949
Base-Backbone interact. energy: -0.003
local terms energy: -190.097989
where:
bonds (distance) C4'-P energy: -27.635
bonds (distance) P-C4' energy: -31.922
flat angles C4'-P-C4' energy: -42.559
flat angles P-C4'-P energy: -29.517
tors. eta vs tors. theta energy: -58.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -545.460489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.460489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.460489 (E_RNA)
where:
Base-Base interactions energy: -374.424
where: short stacking energy: -162.696
Base-Backbone interact. energy: -0.148
local terms energy: -170.888549
where:
bonds (distance) C4'-P energy: -30.944
bonds (distance) P-C4' energy: -32.516
flat angles C4'-P-C4' energy: -35.959
flat angles P-C4'-P energy: -22.034
tors. eta vs tors. theta energy: -49.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -497.706195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.706195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.706195 (E_RNA)
where:
Base-Base interactions energy: -317.491
where: short stacking energy: -132.900
Base-Backbone interact. energy: -0.371
local terms energy: -179.843830
where:
bonds (distance) C4'-P energy: -35.318
bonds (distance) P-C4' energy: -39.216
flat angles C4'-P-C4' energy: -36.851
flat angles P-C4'-P energy: -29.552
tors. eta vs tors. theta energy: -38.907
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: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -488.334456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.334456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.334456 (E_RNA)
where:
Base-Base interactions energy: -333.050
where: short stacking energy: -132.354
Base-Backbone interact. energy: -1.648
local terms energy: -153.636114
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -38.495
flat angles C4'-P-C4' energy: -33.031
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -35.940
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: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -407.471636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.471636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.471636 (E_RNA)
where:
Base-Base interactions energy: -258.833
where: short stacking energy: -124.031
Base-Backbone interact. energy: -0.820
local terms energy: -147.819477
where:
bonds (distance) C4'-P energy: -28.596
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -36.954
flat angles P-C4'-P energy: -17.164
tors. eta vs tors. theta energy: -34.826
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: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -250.810670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.810670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.810670 (E_RNA)
where:
Base-Base interactions energy: -134.719
where: short stacking energy: -76.725
Base-Backbone interact. energy: -1.090
local terms energy: -115.002144
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -35.219
flat angles C4'-P-C4' energy: -34.478
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -4.400
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: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -211.798306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.798306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.798306 (E_RNA)
where:
Base-Base interactions energy: -96.470
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.324
local terms energy: -115.004970
where:
bonds (distance) C4'-P energy: -29.558
bonds (distance) P-C4' energy: -34.203
flat angles C4'-P-C4' energy: -31.875
flat angles P-C4'-P energy: -15.369
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: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -173.167453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.167453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.167453 (E_RNA)
where:
Base-Base interactions energy: -64.017
where: short stacking energy: -49.085
Base-Backbone interact. energy: 0.023
local terms energy: -109.172995
where:
bonds (distance) C4'-P energy: -32.690
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -30.564
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: 1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -155.789559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.789559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.789559 (E_RNA)
where:
Base-Base interactions energy: -49.472
where: short stacking energy: -38.750
Base-Backbone interact. energy: 0.015
local terms energy: -106.332627
where:
bonds (distance) C4'-P energy: -33.323
bonds (distance) P-C4' energy: -27.146
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -15.474
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: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -153.335577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.335577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.335577 (E_RNA)
where:
Base-Base interactions energy: -72.618
where: short stacking energy: -23.246
Base-Backbone interact. energy: -1.377
local terms energy: -79.340841
where:
bonds (distance) C4'-P energy: -26.869
bonds (distance) P-C4' energy: -34.786
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: 10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -560.584503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.584503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.584503 (E_RNA)
where:
Base-Base interactions energy: -370.585
where: short stacking energy: -166.528
Base-Backbone interact. energy: -0.053
local terms energy: -189.946644
where:
bonds (distance) C4'-P energy: -37.150
bonds (distance) P-C4' energy: -35.253
flat angles C4'-P-C4' energy: -40.922
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -54.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -534.796413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.796413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.796413 (E_RNA)
where:
Base-Base interactions energy: -342.767
where: short stacking energy: -158.597
Base-Backbone interact. energy: -0.005
local terms energy: -192.024306
where:
bonds (distance) C4'-P energy: -32.029
bonds (distance) P-C4' energy: -37.266
flat angles C4'-P-C4' energy: -36.278
flat angles P-C4'-P energy: -30.687
tors. eta vs tors. theta energy: -55.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -513.443688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.443688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.443688 (E_RNA)
where:
Base-Base interactions energy: -340.737
where: short stacking energy: -146.968
Base-Backbone interact. energy: -0.737
local terms energy: -171.969660
where:
bonds (distance) C4'-P energy: -35.505
bonds (distance) P-C4' energy: -35.396
flat angles C4'-P-C4' energy: -35.445
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -47.997
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: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -486.660756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.660756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.660756 (E_RNA)
where:
Base-Base interactions energy: -321.825
where: short stacking energy: -138.060
Base-Backbone interact. energy: -0.210
local terms energy: -164.625790
where:
bonds (distance) C4'-P energy: -34.387
bonds (distance) P-C4' energy: -28.272
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -27.489
tors. eta vs tors. theta energy: -42.582
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: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -403.624843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.624843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.624843 (E_RNA)
where:
Base-Base interactions energy: -250.242
where: short stacking energy: -127.958
Base-Backbone interact. energy: -1.238
local terms energy: -152.144973
where:
bonds (distance) C4'-P energy: -30.730
bonds (distance) P-C4' energy: -39.254
flat angles C4'-P-C4' energy: -35.203
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -32.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -265.570534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.570534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.570534 (E_RNA)
where:
Base-Base interactions energy: -125.490
where: short stacking energy: -82.455
Base-Backbone interact. energy: 0.343
local terms energy: -140.422813
where:
bonds (distance) C4'-P energy: -35.744
bonds (distance) P-C4' energy: -38.364
flat angles C4'-P-C4' energy: -27.591
flat angles P-C4'-P energy: -20.418
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -184.913125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.913125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.913125 (E_RNA)
where:
Base-Base interactions energy: -69.138
where: short stacking energy: -55.379
Base-Backbone interact. energy: 1.694
local terms energy: -117.469984
where:
bonds (distance) C4'-P energy: -30.537
bonds (distance) P-C4' energy: -33.442
flat angles C4'-P-C4' energy: -26.620
flat angles P-C4'-P energy: -24.088
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -215.670202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.670202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.670202 (E_RNA)
where:
Base-Base interactions energy: -113.059
where: short stacking energy: -60.919
Base-Backbone interact. energy: -0.749
local terms energy: -101.862298
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -28.755
flat angles C4'-P-C4' energy: -30.534
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -3.246
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: 270
Temperature: 1.300000
Total energy: -168.106935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.106935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.106935 (E_RNA)
where:
Base-Base interactions energy: -56.225
where: short stacking energy: -48.961
Base-Backbone interact. energy: -0.585
local terms energy: -111.296909
where:
bonds (distance) C4'-P energy: -29.226
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -30.329
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -153.446112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.446112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.446112 (E_RNA)
where:
Base-Base interactions energy: -46.377
where: short stacking energy: -36.008
Base-Backbone interact. energy: 0.667
local terms energy: -107.736139
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -7.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -573.347132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.347132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.347132 (E_RNA)
where:
Base-Base interactions energy: -390.672
where: short stacking energy: -166.164
Base-Backbone interact. energy: -0.095
local terms energy: -182.580787
where:
bonds (distance) C4'-P energy: -29.724
bonds (distance) P-C4' energy: -37.572
flat angles C4'-P-C4' energy: -38.777
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -56.352
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: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -559.767759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.767759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.767759 (E_RNA)
where:
Base-Base interactions energy: -371.107
where: short stacking energy: -173.593
Base-Backbone interact. energy: -0.010
local terms energy: -188.650806
where:
bonds (distance) C4'-P energy: -35.791
bonds (distance) P-C4' energy: -33.550
flat angles C4'-P-C4' energy: -38.066
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: -56.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -496.398146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.398146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.398146 (E_RNA)
where:
Base-Base interactions energy: -337.767
where: short stacking energy: -140.083
Base-Backbone interact. energy: 0.013
local terms energy: -158.644328
where:
bonds (distance) C4'-P energy: -33.788
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -29.307
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: -43.515
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: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -394.823439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.823439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.823439 (E_RNA)
where:
Base-Base interactions energy: -230.291
where: short stacking energy: -108.228
Base-Backbone interact. energy: -0.513
local terms energy: -164.019304
where:
bonds (distance) C4'-P energy: -33.736
bonds (distance) P-C4' energy: -39.476
flat angles C4'-P-C4' energy: -37.170
flat angles P-C4'-P energy: -21.827
tors. eta vs tors. theta energy: -31.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -456.894297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.894297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.894297 (E_RNA)
where:
Base-Base interactions energy: -308.328
where: short stacking energy: -125.811
Base-Backbone interact. energy: -0.129
local terms energy: -148.437697
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -32.313
flat angles P-C4'-P energy: -21.719
tors. eta vs tors. theta energy: -37.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -198.000011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.000011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.000011 (E_RNA)
where:
Base-Base interactions energy: -73.335
where: short stacking energy: -52.658
Base-Backbone interact. energy: -0.461
local terms energy: -124.203795
where:
bonds (distance) C4'-P energy: -30.724
bonds (distance) P-C4' energy: -36.579
flat angles C4'-P-C4' energy: -32.621
flat angles P-C4'-P energy: -17.519
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: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -279.059906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.059906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.059906 (E_RNA)
where:
Base-Base interactions energy: -133.498
where: short stacking energy: -96.773
Base-Backbone interact. energy: 0.150
local terms energy: -145.712330
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -35.075
flat angles C4'-P-C4' energy: -34.660
flat angles P-C4'-P energy: -25.029
tors. eta vs tors. theta energy: -26.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -176.539451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.539451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.539451 (E_RNA)
where:
Base-Base interactions energy: -67.870
where: short stacking energy: -40.396
Base-Backbone interact. energy: -0.364
local terms energy: -108.305714
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -34.807
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -19.545
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: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -168.503544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.503544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.503544 (E_RNA)
where:
Base-Base interactions energy: -58.394
where: short stacking energy: -45.641
Base-Backbone interact. energy: 0.838
local terms energy: -110.947875
where:
bonds (distance) C4'-P energy: -29.305
bonds (distance) P-C4' energy: -31.831
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -4.375
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: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -152.382967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.382967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.382967 (E_RNA)
where:
Base-Base interactions energy: -51.282
where: short stacking energy: -31.689
Base-Backbone interact. energy: -0.478
local terms energy: -100.622907
where:
bonds (distance) C4'-P energy: -28.616
bonds (distance) P-C4' energy: -37.318
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -0.406
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: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -556.636734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.636734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.636734 (E_RNA)
where:
Base-Base interactions energy: -359.173
where: short stacking energy: -175.860
Base-Backbone interact. energy: -0.113
local terms energy: -197.350911
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -36.498
flat angles C4'-P-C4' energy: -43.661
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -61.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -539.151319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.151319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.151319 (E_RNA)
where:
Base-Base interactions energy: -366.404
where: short stacking energy: -146.492
Base-Backbone interact. energy: -0.326
local terms energy: -172.420999
where:
bonds (distance) C4'-P energy: -28.613
bonds (distance) P-C4' energy: -38.582
flat angles C4'-P-C4' energy: -32.883
flat angles P-C4'-P energy: -24.838
tors. eta vs tors. theta energy: -47.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -487.890046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.890046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.890046 (E_RNA)
where:
Base-Base interactions energy: -331.284
where: short stacking energy: -121.604
Base-Backbone interact. energy: -0.555
local terms energy: -156.051021
where:
bonds (distance) C4'-P energy: -35.750
bonds (distance) P-C4' energy: -29.671
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -40.983
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: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -399.667265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.667265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.667265 (E_RNA)
where:
Base-Base interactions energy: -254.110
where: short stacking energy: -130.101
Base-Backbone interact. energy: -0.202
local terms energy: -145.355163
where:
bonds (distance) C4'-P energy: -28.797
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -25.988
tors. eta vs tors. theta energy: -33.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -453.645256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.645256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.645256 (E_RNA)
where:
Base-Base interactions energy: -312.465
where: short stacking energy: -121.468
Base-Backbone interact. energy: -0.456
local terms energy: -140.724965
where:
bonds (distance) C4'-P energy: -27.209
bonds (distance) P-C4' energy: -37.069
flat angles C4'-P-C4' energy: -27.740
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -32.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -205.315121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.315121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.315121 (E_RNA)
where:
Base-Base interactions energy: -88.067
where: short stacking energy: -61.099
Base-Backbone interact. energy: -0.843
local terms energy: -116.404744
where:
bonds (distance) C4'-P energy: -29.590
bonds (distance) P-C4' energy: -34.092
flat angles C4'-P-C4' energy: -25.517
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -229.387749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.387749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.387749 (E_RNA)
where:
Base-Base interactions energy: -102.425
where: short stacking energy: -59.581
Base-Backbone interact. energy: 0.572
local terms energy: -127.535161
where:
bonds (distance) C4'-P energy: -28.220
bonds (distance) P-C4' energy: -30.196
flat angles C4'-P-C4' energy: -32.529
flat angles P-C4'-P energy: -25.938
tors. eta vs tors. theta energy: -10.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -250.278519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.278519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.278519 (E_RNA)
where:
Base-Base interactions energy: -125.329
where: short stacking energy: -72.527
Base-Backbone interact. energy: 1.121
local terms energy: -126.070809
where:
bonds (distance) C4'-P energy: -34.181
bonds (distance) P-C4' energy: -36.214
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -7.426
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: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -162.388822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.388822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.388822 (E_RNA)
where:
Base-Base interactions energy: -61.712
where: short stacking energy: -45.936
Base-Backbone interact. energy: -0.145
local terms energy: -100.531564
where:
bonds (distance) C4'-P energy: -27.383
bonds (distance) P-C4' energy: -30.775
flat angles C4'-P-C4' energy: -29.920
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: 1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -140.297112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.297112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.297112 (E_RNA)
where:
Base-Base interactions energy: -55.930
where: short stacking energy: -46.814
Base-Backbone interact. energy: -0.364
local terms energy: -84.002754
where:
bonds (distance) C4'-P energy: -29.616
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: 2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -557.306853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.306853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.306853 (E_RNA)
where:
Base-Base interactions energy: -358.881
where: short stacking energy: -174.938
Base-Backbone interact. energy: -0.045
local terms energy: -198.380942
where:
bonds (distance) C4'-P energy: -32.733
bonds (distance) P-C4' energy: -38.789
flat angles C4'-P-C4' energy: -41.209
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: -57.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -535.968358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.968358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.968358 (E_RNA)
where:
Base-Base interactions energy: -356.222
where: short stacking energy: -156.760
Base-Backbone interact. energy: 0.731
local terms energy: -180.477001
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -33.680
flat angles C4'-P-C4' energy: -38.667
flat angles P-C4'-P energy: -27.555
tors. eta vs tors. theta energy: -48.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -485.558159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.558159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.558159 (E_RNA)
where:
Base-Base interactions energy: -336.844
where: short stacking energy: -123.169
Base-Backbone interact. energy: 0.087
local terms energy: -148.801219
where:
bonds (distance) C4'-P energy: -30.951
bonds (distance) P-C4' energy: -31.996
flat angles C4'-P-C4' energy: -26.467
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -44.787
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: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -471.767007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.767007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.767007 (E_RNA)
where:
Base-Base interactions energy: -298.599
where: short stacking energy: -129.718
Base-Backbone interact. energy: -0.219
local terms energy: -172.949469
where:
bonds (distance) C4'-P energy: -33.767
bonds (distance) P-C4' energy: -27.234
flat angles C4'-P-C4' energy: -40.779
flat angles P-C4'-P energy: -24.008
tors. eta vs tors. theta energy: -47.161
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: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -393.533592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.533592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.533592 (E_RNA)
where:
Base-Base interactions energy: -239.893
where: short stacking energy: -118.024
Base-Backbone interact. energy: 0.068
local terms energy: -153.708739
where:
bonds (distance) C4'-P energy: -28.603
bonds (distance) P-C4' energy: -32.898
flat angles C4'-P-C4' energy: -31.102
flat angles P-C4'-P energy: -23.286
tors. eta vs tors. theta energy: -37.819
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: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -229.657319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.657319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.657319 (E_RNA)
where:
Base-Base interactions energy: -98.421
where: short stacking energy: -58.765
Base-Backbone interact. energy: -0.611
local terms energy: -130.625122
where:
bonds (distance) C4'-P energy: -35.621
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -31.829
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -199.966644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.966644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.966644 (E_RNA)
where:
Base-Base interactions energy: -93.808
where: short stacking energy: -46.141
Base-Backbone interact. energy: -1.054
local terms energy: -105.103788
where:
bonds (distance) C4'-P energy: -24.510
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -27.128
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -6.329
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: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -236.663030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.663030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.663030 (E_RNA)
where:
Base-Base interactions energy: -131.744
where: short stacking energy: -70.395
Base-Backbone interact. energy: 1.484
local terms energy: -106.402515
where:
bonds (distance) C4'-P energy: -32.158
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -20.842
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: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -157.576671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.576671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.576671 (E_RNA)
where:
Base-Base interactions energy: -53.795
where: short stacking energy: -37.458
Base-Backbone interact. energy: -0.683
local terms energy: -103.098819
where:
bonds (distance) C4'-P energy: -29.809
bonds (distance) P-C4' energy: -25.690
flat angles C4'-P-C4' energy: -31.405
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: 1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -149.790078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.790078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.790078 (E_RNA)
where:
Base-Base interactions energy: -56.724
where: short stacking energy: -53.986
Base-Backbone interact. energy: -0.432
local terms energy: -92.634053
where:
bonds (distance) C4'-P energy: -26.897
bonds (distance) P-C4' energy: -27.777
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: 1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -550.831340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.831340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.831340 (E_RNA)
where:
Base-Base interactions energy: -359.219
where: short stacking energy: -177.236
Base-Backbone interact. energy: -0.026
local terms energy: -191.586448
where:
bonds (distance) C4'-P energy: -28.518
bonds (distance) P-C4' energy: -36.554
flat angles C4'-P-C4' energy: -39.682
flat angles P-C4'-P energy: -25.906
tors. eta vs tors. theta energy: -60.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -535.089839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.089839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.089839 (E_RNA)
where:
Base-Base interactions energy: -368.628
where: short stacking energy: -149.024
Base-Backbone interact. energy: 3.055
local terms energy: -169.516770
where:
bonds (distance) C4'-P energy: -33.638
bonds (distance) P-C4' energy: -34.641
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -21.503
tors. eta vs tors. theta energy: -46.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -486.751285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.751285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.751285 (E_RNA)
where:
Base-Base interactions energy: -325.631
where: short stacking energy: -150.705
Base-Backbone interact. energy: -0.072
local terms energy: -161.048861
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -33.336
flat angles C4'-P-C4' energy: -40.118
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -38.197
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: 274
Temperature: 1.050000
Total energy: -485.927593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.927593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.927593 (E_RNA)
where:
Base-Base interactions energy: -319.732
where: short stacking energy: -130.160
Base-Backbone interact. energy: -0.412
local terms energy: -165.783595
where:
bonds (distance) C4'-P energy: -34.727
bonds (distance) P-C4' energy: -34.625
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -44.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -378.773005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.773005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.773005 (E_RNA)
where:
Base-Base interactions energy: -234.464
where: short stacking energy: -115.475
Base-Backbone interact. energy: -0.246
local terms energy: -144.063248
where:
bonds (distance) C4'-P energy: -33.374
bonds (distance) P-C4' energy: -31.381
flat angles C4'-P-C4' energy: -29.814
flat angles P-C4'-P energy: -21.585
tors. eta vs tors. theta energy: -27.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -212.785851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.785851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.785851 (E_RNA)
where:
Base-Base interactions energy: -96.502
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.327
local terms energy: -115.957418
where:
bonds (distance) C4'-P energy: -31.629
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -36.247
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -5.891
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: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -226.730274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.730274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.730274 (E_RNA)
where:
Base-Base interactions energy: -105.016
where: short stacking energy: -63.910
Base-Backbone interact. energy: -0.082
local terms energy: -121.632301
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -35.633
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -18.987
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -162.016779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.016779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.016779 (E_RNA)
where:
Base-Base interactions energy: -51.627
where: short stacking energy: -45.647
Base-Backbone interact. energy: -1.679
local terms energy: -108.710870
where:
bonds (distance) C4'-P energy: -27.042
bonds (distance) P-C4' energy: -35.271
flat angles C4'-P-C4' energy: -26.940
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -158.166823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.166823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.166823 (E_RNA)
where:
Base-Base interactions energy: -64.075
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.180
local terms energy: -93.912227
where:
bonds (distance) C4'-P energy: -30.785
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -153.802066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.802066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.802066 (E_RNA)
where:
Base-Base interactions energy: -53.297
where: short stacking energy: -31.248
Base-Backbone interact. energy: -0.596
local terms energy: -99.909149
where:
bonds (distance) C4'-P energy: -24.615
bonds (distance) P-C4' energy: -30.060
flat angles C4'-P-C4' energy: -35.710
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: 4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -558.862113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.862113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.862113 (E_RNA)
where:
Base-Base interactions energy: -360.300
where: short stacking energy: -182.017
Base-Backbone interact. energy: -0.432
local terms energy: -198.129342
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -40.870
flat angles P-C4'-P energy: -29.959
tors. eta vs tors. theta energy: -63.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -542.647219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.647219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.647219 (E_RNA)
where:
Base-Base interactions energy: -367.911
where: short stacking energy: -162.553
Base-Backbone interact. energy: -0.215
local terms energy: -174.520764
where:
bonds (distance) C4'-P energy: -31.226
bonds (distance) P-C4' energy: -33.773
flat angles C4'-P-C4' energy: -38.227
flat angles P-C4'-P energy: -23.707
tors. eta vs tors. theta energy: -47.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -497.894085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.894085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.894085 (E_RNA)
where:
Base-Base interactions energy: -340.803
where: short stacking energy: -149.709
Base-Backbone interact. energy: 0.145
local terms energy: -157.236682
where:
bonds (distance) C4'-P energy: -28.330
bonds (distance) P-C4' energy: -32.431
flat angles C4'-P-C4' energy: -35.408
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -42.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -484.890590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.890590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.890590 (E_RNA)
where:
Base-Base interactions energy: -314.256
where: short stacking energy: -117.660
Base-Backbone interact. energy: 0.084
local terms energy: -170.718760
where:
bonds (distance) C4'-P energy: -32.199
bonds (distance) P-C4' energy: -29.329
flat angles C4'-P-C4' energy: -37.391
flat angles P-C4'-P energy: -27.074
tors. eta vs tors. theta energy: -44.726
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: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -404.509336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.509336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.509336 (E_RNA)
where:
Base-Base interactions energy: -255.888
where: short stacking energy: -135.385
Base-Backbone interact. energy: 3.440
local terms energy: -152.060917
where:
bonds (distance) C4'-P energy: -30.303
bonds (distance) P-C4' energy: -33.563
flat angles C4'-P-C4' energy: -36.831
flat angles P-C4'-P energy: -20.912
tors. eta vs tors. theta energy: -30.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -283.906206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.906206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.906206 (E_RNA)
where:
Base-Base interactions energy: -148.988
where: short stacking energy: -72.147
Base-Backbone interact. energy: -0.226
local terms energy: -134.691996
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -40.105
flat angles C4'-P-C4' energy: -31.577
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -208.764838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.764838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.764838 (E_RNA)
where:
Base-Base interactions energy: -96.629
where: short stacking energy: -58.733
Base-Backbone interact. energy: 1.887
local terms energy: -114.022520
where:
bonds (distance) C4'-P energy: -31.322
bonds (distance) P-C4' energy: -27.022
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -175.677723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.677723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.677723 (E_RNA)
where:
Base-Base interactions energy: -63.349
where: short stacking energy: -54.648
Base-Backbone interact. energy: -0.928
local terms energy: -111.400932
where:
bonds (distance) C4'-P energy: -31.355
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -31.123
flat angles P-C4'-P energy: -17.401
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: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -161.675513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.675513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.675513 (E_RNA)
where:
Base-Base interactions energy: -60.005
where: short stacking energy: -40.651
Base-Backbone interact. energy: -0.956
local terms energy: -100.714725
where:
bonds (distance) C4'-P energy: -34.893
bonds (distance) P-C4' energy: -33.010
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: 2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -151.544514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.544514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.544514 (E_RNA)
where:
Base-Base interactions energy: -54.855
where: short stacking energy: -38.450
Base-Backbone interact. energy: 3.602
local terms energy: -100.291882
where:
bonds (distance) C4'-P energy: -33.843
bonds (distance) P-C4' energy: -35.468
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: 6.956
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: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -553.951188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.951188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.951188 (E_RNA)
where:
Base-Base interactions energy: -372.111
where: short stacking energy: -154.063
Base-Backbone interact. energy: -0.005
local terms energy: -181.835195
where:
bonds (distance) C4'-P energy: -29.964
bonds (distance) P-C4' energy: -39.786
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -53.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -547.208159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.208159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.208159 (E_RNA)
where:
Base-Base interactions energy: -351.581
where: short stacking energy: -173.175
Base-Backbone interact. energy: -0.050
local terms energy: -195.577577
where:
bonds (distance) C4'-P energy: -34.214
bonds (distance) P-C4' energy: -36.821
flat angles C4'-P-C4' energy: -39.159
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -60.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -503.422485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.422485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.422485 (E_RNA)
where:
Base-Base interactions energy: -340.005
where: short stacking energy: -142.091
Base-Backbone interact. energy: 0.055
local terms energy: -163.472211
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -36.280
flat angles C4'-P-C4' energy: -36.267
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: -42.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -480.653800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.653800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.653800 (E_RNA)
where:
Base-Base interactions energy: -319.860
where: short stacking energy: -122.648
Base-Backbone interact. energy: 0.206
local terms energy: -161.000158
where:
bonds (distance) C4'-P energy: -31.811
bonds (distance) P-C4' energy: -33.169
flat angles C4'-P-C4' energy: -33.925
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -41.193
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: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -399.611226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.611226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.611226 (E_RNA)
where:
Base-Base interactions energy: -244.269
where: short stacking energy: -109.825
Base-Backbone interact. energy: -0.457
local terms energy: -154.884906
where:
bonds (distance) C4'-P energy: -33.548
bonds (distance) P-C4' energy: -28.757
flat angles C4'-P-C4' energy: -34.319
flat angles P-C4'-P energy: -19.620
tors. eta vs tors. theta energy: -38.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -226.368208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.368208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.368208 (E_RNA)
where:
Base-Base interactions energy: -107.187
where: short stacking energy: -69.949
Base-Backbone interact. energy: -0.859
local terms energy: -118.322709
where:
bonds (distance) C4'-P energy: -32.546
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -30.184
flat angles P-C4'-P energy: -24.209
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -184.464705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.464705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.464705 (E_RNA)
where:
Base-Base interactions energy: -80.157
where: short stacking energy: -61.600
Base-Backbone interact. energy: -1.422
local terms energy: -102.885765
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -19.965
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: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -167.958433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.958433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.958433 (E_RNA)
where:
Base-Base interactions energy: -64.986
where: short stacking energy: -45.218
Base-Backbone interact. energy: -0.870
local terms energy: -102.103346
where:
bonds (distance) C4'-P energy: -35.408
bonds (distance) P-C4' energy: -29.987
flat angles C4'-P-C4' energy: -29.469
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -169.061212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.061212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.061212 (E_RNA)
where:
Base-Base interactions energy: -76.625
where: short stacking energy: -50.766
Base-Backbone interact. energy: -1.186
local terms energy: -91.249944
where:
bonds (distance) C4'-P energy: -35.005
bonds (distance) P-C4' energy: -26.950
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: 6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -186.315439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.315439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.315439 (E_RNA)
where:
Base-Base interactions energy: -93.608
where: short stacking energy: -46.662
Base-Backbone interact. energy: -0.324
local terms energy: -92.383113
where:
bonds (distance) C4'-P energy: -28.737
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: 1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -540.047374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.047374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.047374 (E_RNA)
where:
Base-Base interactions energy: -365.759
where: short stacking energy: -155.301
Base-Backbone interact. energy: -0.120
local terms energy: -174.168291
where:
bonds (distance) C4'-P energy: -34.571
bonds (distance) P-C4' energy: -32.157
flat angles C4'-P-C4' energy: -33.161
flat angles P-C4'-P energy: -20.904
tors. eta vs tors. theta energy: -53.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -549.873549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.873549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.873549 (E_RNA)
where:
Base-Base interactions energy: -359.972
where: short stacking energy: -174.360
Base-Backbone interact. energy: 0.529
local terms energy: -190.430479
where:
bonds (distance) C4'-P energy: -34.918
bonds (distance) P-C4' energy: -34.049
flat angles C4'-P-C4' energy: -39.148
flat angles P-C4'-P energy: -20.836
tors. eta vs tors. theta energy: -61.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -494.087536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.087536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.087536 (E_RNA)
where:
Base-Base interactions energy: -315.742
where: short stacking energy: -144.529
Base-Backbone interact. energy: -0.618
local terms energy: -177.727553
where:
bonds (distance) C4'-P energy: -35.364
bonds (distance) P-C4' energy: -35.102
flat angles C4'-P-C4' energy: -40.554
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -44.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -478.759674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.759674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.759674 (E_RNA)
where:
Base-Base interactions energy: -311.437
where: short stacking energy: -122.343
Base-Backbone interact. energy: -1.506
local terms energy: -165.816981
where:
bonds (distance) C4'-P energy: -36.974
bonds (distance) P-C4' energy: -37.397
flat angles C4'-P-C4' energy: -32.156
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -39.086
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: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -395.610810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.610810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.610810 (E_RNA)
where:
Base-Base interactions energy: -250.949
where: short stacking energy: -128.388
Base-Backbone interact. energy: -0.202
local terms energy: -144.459865
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -33.747
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -39.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -232.776685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.776685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.776685 (E_RNA)
where:
Base-Base interactions energy: -113.776
where: short stacking energy: -45.945
Base-Backbone interact. energy: -0.289
local terms energy: -118.711420
where:
bonds (distance) C4'-P energy: -28.092
bonds (distance) P-C4' energy: -31.808
flat angles C4'-P-C4' energy: -28.853
flat angles P-C4'-P energy: -23.346
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -189.843082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.843082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.843082 (E_RNA)
where:
Base-Base interactions energy: -76.797
where: short stacking energy: -65.467
Base-Backbone interact. energy: -0.030
local terms energy: -113.015637
where:
bonds (distance) C4'-P energy: -26.125
bonds (distance) P-C4' energy: -32.187
flat angles C4'-P-C4' energy: -27.111
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -212.216745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.216745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.216745 (E_RNA)
where:
Base-Base interactions energy: -103.900
where: short stacking energy: -67.214
Base-Backbone interact. energy: 0.923
local terms energy: -109.239632
where:
bonds (distance) C4'-P energy: -28.367
bonds (distance) P-C4' energy: -32.825
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -148.831973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.831973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.831973 (E_RNA)
where:
Base-Base interactions energy: -43.910
where: short stacking energy: -35.481
Base-Backbone interact. energy: 1.468
local terms energy: -106.390211
where:
bonds (distance) C4'-P energy: -28.133
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -31.569
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -150.318352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.318352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.318352 (E_RNA)
where:
Base-Base interactions energy: -44.773
where: short stacking energy: -42.948
Base-Backbone interact. energy: -0.176
local terms energy: -105.369213
where:
bonds (distance) C4'-P energy: -24.083
bonds (distance) P-C4' energy: -31.938
flat angles C4'-P-C4' energy: -29.259
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -2.940
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: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -551.650704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.650704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.650704 (E_RNA)
where:
Base-Base interactions energy: -354.828
where: short stacking energy: -175.776
Base-Backbone interact. energy: 1.261
local terms energy: -198.084374
where:
bonds (distance) C4'-P energy: -33.234
bonds (distance) P-C4' energy: -32.328
flat angles C4'-P-C4' energy: -42.013
flat angles P-C4'-P energy: -28.068
tors. eta vs tors. theta energy: -62.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -544.373234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.373234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.373234 (E_RNA)
where:
Base-Base interactions energy: -366.737
where: short stacking energy: -159.583
Base-Backbone interact. energy: 0.715
local terms energy: -178.351210
where:
bonds (distance) C4'-P energy: -35.311
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -35.981
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -53.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -504.479312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.479312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.479312 (E_RNA)
where:
Base-Base interactions energy: -322.701
where: short stacking energy: -136.997
Base-Backbone interact. energy: -0.091
local terms energy: -181.687712
where:
bonds (distance) C4'-P energy: -34.885
bonds (distance) P-C4' energy: -36.634
flat angles C4'-P-C4' energy: -39.884
flat angles P-C4'-P energy: -30.804
tors. eta vs tors. theta energy: -39.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -462.040939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.040939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.040939 (E_RNA)
where:
Base-Base interactions energy: -309.155
where: short stacking energy: -120.600
Base-Backbone interact. energy: -0.664
local terms energy: -152.221368
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -29.116
flat angles C4'-P-C4' energy: -33.426
flat angles P-C4'-P energy: -27.158
tors. eta vs tors. theta energy: -37.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -381.045627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.045627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.045627 (E_RNA)
where:
Base-Base interactions energy: -229.229
where: short stacking energy: -109.301
Base-Backbone interact. energy: -1.493
local terms energy: -150.323513
where:
bonds (distance) C4'-P energy: -34.560
bonds (distance) P-C4' energy: -31.070
flat angles C4'-P-C4' energy: -34.800
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -30.952
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: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -245.686956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.686956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.686956 (E_RNA)
where:
Base-Base interactions energy: -125.567
where: short stacking energy: -79.462
Base-Backbone interact. energy: -0.347
local terms energy: -119.772704
where:
bonds (distance) C4'-P energy: -32.398
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -211.683027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.683027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.683027 (E_RNA)
where:
Base-Base interactions energy: -94.671
where: short stacking energy: -58.930
Base-Backbone interact. energy: 3.580
local terms energy: -120.591690
where:
bonds (distance) C4'-P energy: -34.225
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -28.430
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -161.708875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.708875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.708875 (E_RNA)
where:
Base-Base interactions energy: -61.122
where: short stacking energy: -36.629
Base-Backbone interact. energy: -0.430
local terms energy: -100.156468
where:
bonds (distance) C4'-P energy: -29.331
bonds (distance) P-C4' energy: -33.744
flat angles C4'-P-C4' energy: -26.079
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: 3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -156.078883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.078883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.078883 (E_RNA)
where:
Base-Base interactions energy: -50.691
where: short stacking energy: -42.142
Base-Backbone interact. energy: -0.481
local terms energy: -104.907516
where:
bonds (distance) C4'-P energy: -40.131
bonds (distance) P-C4' energy: -29.410
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: 6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -145.876336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.876336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.876336 (E_RNA)
where:
Base-Base interactions energy: -43.830
where: short stacking energy: -43.289
Base-Backbone interact. energy: 0.050
local terms energy: -102.096125
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -31.755
flat angles C4'-P-C4' energy: -26.167
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: 3.640
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: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -548.307917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.307917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.307917 (E_RNA)
where:
Base-Base interactions energy: -357.310
where: short stacking energy: -174.493
Base-Backbone interact. energy: -0.006
local terms energy: -190.991662
where:
bonds (distance) C4'-P energy: -35.113
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -39.276
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -63.299
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: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -545.726489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.726489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.726489 (E_RNA)
where:
Base-Base interactions energy: -366.849
where: short stacking energy: -168.668
Base-Backbone interact. energy: -0.346
local terms energy: -178.531363
where:
bonds (distance) C4'-P energy: -31.085
bonds (distance) P-C4' energy: -33.412
flat angles C4'-P-C4' energy: -40.060
flat angles P-C4'-P energy: -25.656
tors. eta vs tors. theta energy: -48.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -492.516299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.516299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.516299 (E_RNA)
where:
Base-Base interactions energy: -311.830
where: short stacking energy: -148.815
Base-Backbone interact. energy: -0.324
local terms energy: -180.362878
where:
bonds (distance) C4'-P energy: -32.109
bonds (distance) P-C4' energy: -37.811
flat angles C4'-P-C4' energy: -40.925
flat angles P-C4'-P energy: -23.092
tors. eta vs tors. theta energy: -46.425
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: 279
Temperature: 1.050000
Total energy: -478.707541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.707541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.707541 (E_RNA)
where:
Base-Base interactions energy: -336.323
where: short stacking energy: -128.314
Base-Backbone interact. energy: 4.526
local terms energy: -146.910105
where:
bonds (distance) C4'-P energy: -39.163
bonds (distance) P-C4' energy: -25.147
flat angles C4'-P-C4' energy: -28.267
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -41.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -387.272472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.272472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.272472 (E_RNA)
where:
Base-Base interactions energy: -252.372
where: short stacking energy: -114.885
Base-Backbone interact. energy: -1.135
local terms energy: -133.764740
where:
bonds (distance) C4'-P energy: -36.028
bonds (distance) P-C4' energy: -29.470
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -21.456
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: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -245.989136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.989136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.989136 (E_RNA)
where:
Base-Base interactions energy: -129.042
where: short stacking energy: -78.972
Base-Backbone interact. energy: 0.380
local terms energy: -117.327398
where:
bonds (distance) C4'-P energy: -37.599
bonds (distance) P-C4' energy: -30.783
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -213.377615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.377615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.377615 (E_RNA)
where:
Base-Base interactions energy: -101.165
where: short stacking energy: -52.472
Base-Backbone interact. energy: -1.081
local terms energy: -111.131262
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -31.740
flat angles C4'-P-C4' energy: -31.909
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -166.400598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.400598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.400598 (E_RNA)
where:
Base-Base interactions energy: -60.586
where: short stacking energy: -32.975
Base-Backbone interact. energy: 3.216
local terms energy: -109.030556
where:
bonds (distance) C4'-P energy: -41.058
bonds (distance) P-C4' energy: -40.464
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: 7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -162.019536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.019536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.019536 (E_RNA)
where:
Base-Base interactions energy: -60.229
where: short stacking energy: -50.022
Base-Backbone interact. energy: -1.049
local terms energy: -100.742274
where:
bonds (distance) C4'-P energy: -30.623
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -150.521209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.521209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.521209 (E_RNA)
where:
Base-Base interactions energy: -50.172
where: short stacking energy: -29.157
Base-Backbone interact. energy: 0.750
local terms energy: -101.098945
where:
bonds (distance) C4'-P energy: -40.200
bonds (distance) P-C4' energy: -34.017
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: 9.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -548.205386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.205386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.205386 (E_RNA)
where:
Base-Base interactions energy: -339.672
where: short stacking energy: -164.589
Base-Backbone interact. energy: -0.216
local terms energy: -208.316979
where:
bonds (distance) C4'-P energy: -35.316
bonds (distance) P-C4' energy: -39.357
flat angles C4'-P-C4' energy: -44.555
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: -59.868
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: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -534.996475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.996475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.996475 (E_RNA)
where:
Base-Base interactions energy: -354.113
where: short stacking energy: -152.478
Base-Backbone interact. energy: -0.806
local terms energy: -180.077621
where:
bonds (distance) C4'-P energy: -30.919
bonds (distance) P-C4' energy: -36.770
flat angles C4'-P-C4' energy: -39.515
flat angles P-C4'-P energy: -25.501
tors. eta vs tors. theta energy: -47.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -492.695424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.695424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.695424 (E_RNA)
where:
Base-Base interactions energy: -327.017
where: short stacking energy: -138.033
Base-Backbone interact. energy: -0.302
local terms energy: -165.376132
where:
bonds (distance) C4'-P energy: -31.373
bonds (distance) P-C4' energy: -38.660
flat angles C4'-P-C4' energy: -34.415
flat angles P-C4'-P energy: -19.607
tors. eta vs tors. theta energy: -41.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -480.849140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.849140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.849140 (E_RNA)
where:
Base-Base interactions energy: -312.279
where: short stacking energy: -145.611
Base-Backbone interact. energy: -0.335
local terms energy: -168.235101
where:
bonds (distance) C4'-P energy: -32.752
bonds (distance) P-C4' energy: -34.087
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -47.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -294.374946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.374946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.374946 (E_RNA)
where:
Base-Base interactions energy: -169.691
where: short stacking energy: -91.647
Base-Backbone interact. energy: 1.308
local terms energy: -125.990994
where:
bonds (distance) C4'-P energy: -31.767
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -20.844
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -405.783866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.783866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.783866 (E_RNA)
where:
Base-Base interactions energy: -255.935
where: short stacking energy: -105.347
Base-Backbone interact. energy: -0.753
local terms energy: -149.096441
where:
bonds (distance) C4'-P energy: -32.309
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -32.014
flat angles P-C4'-P energy: -24.941
tors. eta vs tors. theta energy: -29.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -243.110904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.110904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.110904 (E_RNA)
where:
Base-Base interactions energy: -122.854
where: short stacking energy: -66.988
Base-Backbone interact. energy: -0.577
local terms energy: -119.680518
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -33.550
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -22.287
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -170.100479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.100479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.100479 (E_RNA)
where:
Base-Base interactions energy: -57.894
where: short stacking energy: -39.718
Base-Backbone interact. energy: -0.863
local terms energy: -111.344111
where:
bonds (distance) C4'-P energy: -28.962
bonds (distance) P-C4' energy: -32.393
flat angles C4'-P-C4' energy: -34.629
flat angles P-C4'-P energy: -12.918
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: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -180.077077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.077077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.077077 (E_RNA)
where:
Base-Base interactions energy: -75.027
where: short stacking energy: -49.447
Base-Backbone interact. energy: 1.240
local terms energy: -106.290324
where:
bonds (distance) C4'-P energy: -31.804
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -165.812918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.812918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.812918 (E_RNA)
where:
Base-Base interactions energy: -57.605
where: short stacking energy: -41.725
Base-Backbone interact. energy: -0.979
local terms energy: -107.228901
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -30.361
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -557.709765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.709765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.709765 (E_RNA)
where:
Base-Base interactions energy: -361.385
where: short stacking energy: -172.513
Base-Backbone interact. energy: -0.015
local terms energy: -196.309911
where:
bonds (distance) C4'-P energy: -34.649
bonds (distance) P-C4' energy: -35.980
flat angles C4'-P-C4' energy: -40.437
flat angles P-C4'-P energy: -26.257
tors. eta vs tors. theta energy: -58.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -540.302871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.302871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.302871 (E_RNA)
where:
Base-Base interactions energy: -358.649
where: short stacking energy: -144.464
Base-Backbone interact. energy: 0.195
local terms energy: -181.849075
where:
bonds (distance) C4'-P energy: -38.351
bonds (distance) P-C4' energy: -36.157
flat angles C4'-P-C4' energy: -42.133
flat angles P-C4'-P energy: -23.458
tors. eta vs tors. theta energy: -41.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -468.287107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.287107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.287107 (E_RNA)
where:
Base-Base interactions energy: -302.779
where: short stacking energy: -121.295
Base-Backbone interact. energy: -3.385
local terms energy: -162.123045
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -40.408
flat angles C4'-P-C4' energy: -31.525
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -39.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -480.588637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.588637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.588637 (E_RNA)
where:
Base-Base interactions energy: -315.474
where: short stacking energy: -136.776
Base-Backbone interact. energy: -0.635
local terms energy: -164.480227
where:
bonds (distance) C4'-P energy: -32.812
bonds (distance) P-C4' energy: -33.037
flat angles C4'-P-C4' energy: -34.899
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -40.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -298.120666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.120666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.120666 (E_RNA)
where:
Base-Base interactions energy: -158.187
where: short stacking energy: -77.994
Base-Backbone interact. energy: -0.719
local terms energy: -139.215534
where:
bonds (distance) C4'-P energy: -32.236
bonds (distance) P-C4' energy: -36.871
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -19.428
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: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -388.042885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.042885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.042885 (E_RNA)
where:
Base-Base interactions energy: -256.684
where: short stacking energy: -100.956
Base-Backbone interact. energy: -0.630
local terms energy: -130.729027
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -35.132
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -26.714
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: 7, replica: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -209.045654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.045654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.045654 (E_RNA)
where:
Base-Base interactions energy: -94.760
where: short stacking energy: -53.638
Base-Backbone interact. energy: -0.450
local terms energy: -113.835829
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -29.812
flat angles C4'-P-C4' energy: -27.676
flat angles P-C4'-P energy: -24.181
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: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -177.016327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.016327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.016327 (E_RNA)
where:
Base-Base interactions energy: -56.063
where: short stacking energy: -47.993
Base-Backbone interact. energy: -0.431
local terms energy: -120.522662
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -32.532
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: 0.380
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: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -150.572259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.572259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.572259 (E_RNA)
where:
Base-Base interactions energy: -64.308
where: short stacking energy: -40.308
Base-Backbone interact. energy: -2.254
local terms energy: -84.010019
where:
bonds (distance) C4'-P energy: -25.223
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: 3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -142.926777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.926777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.926777 (E_RNA)
where:
Base-Base interactions energy: -55.183
where: short stacking energy: -48.603
Base-Backbone interact. energy: 1.389
local terms energy: -89.133158
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -549.877129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.877129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.877129 (E_RNA)
where:
Base-Base interactions energy: -353.294
where: short stacking energy: -157.727
Base-Backbone interact. energy: -0.083
local terms energy: -196.499459
where:
bonds (distance) C4'-P energy: -37.405
bonds (distance) P-C4' energy: -34.682
flat angles C4'-P-C4' energy: -39.314
flat angles P-C4'-P energy: -26.646
tors. eta vs tors. theta energy: -58.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -544.443888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.443888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.443888 (E_RNA)
where:
Base-Base interactions energy: -353.162
where: short stacking energy: -142.694
Base-Backbone interact. energy: 0.207
local terms energy: -191.488233
where:
bonds (distance) C4'-P energy: -36.756
bonds (distance) P-C4' energy: -39.772
flat angles C4'-P-C4' energy: -39.050
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -53.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -509.503663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.503663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.503663 (E_RNA)
where:
Base-Base interactions energy: -336.451
where: short stacking energy: -158.093
Base-Backbone interact. energy: -1.363
local terms energy: -171.689075
where:
bonds (distance) C4'-P energy: -26.065
bonds (distance) P-C4' energy: -37.582
flat angles C4'-P-C4' energy: -38.537
flat angles P-C4'-P energy: -21.398
tors. eta vs tors. theta energy: -48.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -499.939027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.939027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.939027 (E_RNA)
where:
Base-Base interactions energy: -337.774
where: short stacking energy: -148.626
Base-Backbone interact. energy: 1.986
local terms energy: -164.151656
where:
bonds (distance) C4'-P energy: -28.712
bonds (distance) P-C4' energy: -37.602
flat angles C4'-P-C4' energy: -29.287
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -48.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -424.533315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.533315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.533315 (E_RNA)
where:
Base-Base interactions energy: -260.840
where: short stacking energy: -116.569
Base-Backbone interact. energy: -0.581
local terms energy: -163.112475
where:
bonds (distance) C4'-P energy: -37.996
bonds (distance) P-C4' energy: -34.448
flat angles C4'-P-C4' energy: -30.817
flat angles P-C4'-P energy: -24.367
tors. eta vs tors. theta energy: -35.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -285.889623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.889623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.889623 (E_RNA)
where:
Base-Base interactions energy: -157.328
where: short stacking energy: -95.071
Base-Backbone interact. energy: -0.312
local terms energy: -128.249728
where:
bonds (distance) C4'-P energy: -30.742
bonds (distance) P-C4' energy: -28.783
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -25.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -205.883139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.883139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.883139 (E_RNA)
where:
Base-Base interactions energy: -71.520
where: short stacking energy: -60.915
Base-Backbone interact. energy: -0.645
local terms energy: -133.717919
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -41.369
flat angles C4'-P-C4' energy: -29.658
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -180.533024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.533024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.533024 (E_RNA)
where:
Base-Base interactions energy: -70.304
where: short stacking energy: -55.887
Base-Backbone interact. energy: 0.725
local terms energy: -110.953896
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -39.374
flat angles C4'-P-C4' energy: -30.655
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -171.629295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.629295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.629295 (E_RNA)
where:
Base-Base interactions energy: -64.710
where: short stacking energy: -34.642
Base-Backbone interact. energy: -0.568
local terms energy: -106.351583
where:
bonds (distance) C4'-P energy: -31.776
bonds (distance) P-C4' energy: -34.202
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -153.458303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.458303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.458303 (E_RNA)
where:
Base-Base interactions energy: -48.206
where: short stacking energy: -39.207
Base-Backbone interact. energy: -0.713
local terms energy: -104.539211
where:
bonds (distance) C4'-P energy: -36.211
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -556.159556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.159556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.159556 (E_RNA)
where:
Base-Base interactions energy: -366.446
where: short stacking energy: -178.499
Base-Backbone interact. energy: 0.378
local terms energy: -190.091455
where:
bonds (distance) C4'-P energy: -36.678
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -40.961
flat angles P-C4'-P energy: -22.201
tors. eta vs tors. theta energy: -62.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -540.583935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.583935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.583935 (E_RNA)
where:
Base-Base interactions energy: -368.867
where: short stacking energy: -150.408
Base-Backbone interact. energy: -0.772
local terms energy: -170.945066
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -39.204
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -49.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -503.784506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.784506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.784506 (E_RNA)
where:
Base-Base interactions energy: -324.787
where: short stacking energy: -154.093
Base-Backbone interact. energy: -1.167
local terms energy: -177.830854
where:
bonds (distance) C4'-P energy: -32.740
bonds (distance) P-C4' energy: -39.935
flat angles C4'-P-C4' energy: -37.701
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -48.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -470.534955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.534955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.534955 (E_RNA)
where:
Base-Base interactions energy: -319.334
where: short stacking energy: -128.178
Base-Backbone interact. energy: -0.653
local terms energy: -150.547683
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -28.896
flat angles C4'-P-C4' energy: -37.208
flat angles P-C4'-P energy: -21.279
tors. eta vs tors. theta energy: -39.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -459.304487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.304487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.304487 (E_RNA)
where:
Base-Base interactions energy: -296.404
where: short stacking energy: -140.755
Base-Backbone interact. energy: -0.463
local terms energy: -162.437673
where:
bonds (distance) C4'-P energy: -26.538
bonds (distance) P-C4' energy: -37.281
flat angles C4'-P-C4' energy: -31.903
flat angles P-C4'-P energy: -21.501
tors. eta vs tors. theta energy: -45.215
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: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -287.498015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.498015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.498015 (E_RNA)
where:
Base-Base interactions energy: -151.529
where: short stacking energy: -83.682
Base-Backbone interact. energy: -0.656
local terms energy: -135.313171
where:
bonds (distance) C4'-P energy: -30.375
bonds (distance) P-C4' energy: -29.839
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -25.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -206.003271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.003271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.003271 (E_RNA)
where:
Base-Base interactions energy: -94.586
where: short stacking energy: -62.648
Base-Backbone interact. energy: 0.632
local terms energy: -112.049469
where:
bonds (distance) C4'-P energy: -29.292
bonds (distance) P-C4' energy: -34.885
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -3.481
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: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -171.858555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.858555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.858555 (E_RNA)
where:
Base-Base interactions energy: -71.852
where: short stacking energy: -46.709
Base-Backbone interact. energy: -0.801
local terms energy: -99.205433
where:
bonds (distance) C4'-P energy: -27.823
bonds (distance) P-C4' energy: -34.229
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -4.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -150.480319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.480319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.480319 (E_RNA)
where:
Base-Base interactions energy: -56.413
where: short stacking energy: -26.253
Base-Backbone interact. energy: -0.111
local terms energy: -93.956974
where:
bonds (distance) C4'-P energy: -34.137
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: 9.403
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: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -150.045944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.045944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.045944 (E_RNA)
where:
Base-Base interactions energy: -54.948
where: short stacking energy: -25.729
Base-Backbone interact. energy: -0.932
local terms energy: -94.165755
where:
bonds (distance) C4'-P energy: -34.062
bonds (distance) P-C4' energy: -29.794
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -12.836
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: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -560.495192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.495192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.495192 (E_RNA)
where:
Base-Base interactions energy: -365.124
where: short stacking energy: -175.624
Base-Backbone interact. energy: -0.287
local terms energy: -195.084620
where:
bonds (distance) C4'-P energy: -40.888
bonds (distance) P-C4' energy: -27.264
flat angles C4'-P-C4' energy: -42.748
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: -59.575
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: 284
Temperature: 0.950000
Total energy: -541.842779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.842779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.842779 (E_RNA)
where:
Base-Base interactions energy: -367.627
where: short stacking energy: -148.447
Base-Backbone interact. energy: 0.587
local terms energy: -174.802961
where:
bonds (distance) C4'-P energy: -27.783
bonds (distance) P-C4' energy: -33.628
flat angles C4'-P-C4' energy: -38.821
flat angles P-C4'-P energy: -24.137
tors. eta vs tors. theta energy: -50.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -486.358169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.358169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.358169 (E_RNA)
where:
Base-Base interactions energy: -324.534
where: short stacking energy: -141.006
Base-Backbone interact. energy: -0.672
local terms energy: -161.151402
where:
bonds (distance) C4'-P energy: -30.277
bonds (distance) P-C4' energy: -25.916
flat angles C4'-P-C4' energy: -35.184
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -51.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -481.693498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.693498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.693498 (E_RNA)
where:
Base-Base interactions energy: -322.393
where: short stacking energy: -121.668
Base-Backbone interact. energy: 0.004
local terms energy: -159.305223
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -39.005
flat angles C4'-P-C4' energy: -27.818
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: -37.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -450.391403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.391403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.391403 (E_RNA)
where:
Base-Base interactions energy: -283.683
where: short stacking energy: -119.801
Base-Backbone interact. energy: -0.871
local terms energy: -165.837002
where:
bonds (distance) C4'-P energy: -33.727
bonds (distance) P-C4' energy: -35.375
flat angles C4'-P-C4' energy: -36.032
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -39.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -284.187683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.187683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.187683 (E_RNA)
where:
Base-Base interactions energy: -162.376
where: short stacking energy: -71.072
Base-Backbone interact. energy: 3.381
local terms energy: -125.192771
where:
bonds (distance) C4'-P energy: -29.750
bonds (distance) P-C4' energy: -29.591
flat angles C4'-P-C4' energy: -32.967
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -11.883
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: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -169.405884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.405884 (E_RNA)
where:
Base-Base interactions energy: -55.257
where: short stacking energy: -49.170
Base-Backbone interact. energy: -0.270
local terms energy: -113.878932
where:
bonds (distance) C4'-P energy: -28.918
bonds (distance) P-C4' energy: -33.145
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -177.863487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.863487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.863487 (E_RNA)
where:
Base-Base interactions energy: -59.006
where: short stacking energy: -53.309
Base-Backbone interact. energy: -0.106
local terms energy: -118.750600
where:
bonds (distance) C4'-P energy: -31.910
bonds (distance) P-C4' energy: -36.816
flat angles C4'-P-C4' energy: -31.501
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -166.523486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.523486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.523486 (E_RNA)
where:
Base-Base interactions energy: -60.880
where: short stacking energy: -44.521
Base-Backbone interact. energy: 0.208
local terms energy: -105.851932
where:
bonds (distance) C4'-P energy: -26.439
bonds (distance) P-C4' energy: -25.552
flat angles C4'-P-C4' energy: -33.121
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -142.141968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.141968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.141968 (E_RNA)
where:
Base-Base interactions energy: -48.855
where: short stacking energy: -29.349
Base-Backbone interact. energy: 0.189
local terms energy: -93.475904
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -28.017
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: 2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -554.580756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.580756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.580756 (E_RNA)
where:
Base-Base interactions energy: -358.948
where: short stacking energy: -176.232
Base-Backbone interact. energy: -0.014
local terms energy: -195.618349
where:
bonds (distance) C4'-P energy: -30.890
bonds (distance) P-C4' energy: -33.611
flat angles C4'-P-C4' energy: -39.215
flat angles P-C4'-P energy: -28.115
tors. eta vs tors. theta energy: -63.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -544.160453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.160453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.160453 (E_RNA)
where:
Base-Base interactions energy: -362.114
where: short stacking energy: -162.976
Base-Backbone interact. energy: -0.741
local terms energy: -181.304541
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -41.244
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: -50.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -475.489808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.489808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.489808 (E_RNA)
where:
Base-Base interactions energy: -318.698
where: short stacking energy: -134.295
Base-Backbone interact. energy: -1.083
local terms energy: -155.709629
where:
bonds (distance) C4'-P energy: -34.020
bonds (distance) P-C4' energy: -33.223
flat angles C4'-P-C4' energy: -28.394
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -40.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -476.938306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.938306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.938306 (E_RNA)
where:
Base-Base interactions energy: -317.117
where: short stacking energy: -135.655
Base-Backbone interact. energy: 0.801
local terms energy: -160.622081
where:
bonds (distance) C4'-P energy: -38.600
bonds (distance) P-C4' energy: -31.042
flat angles C4'-P-C4' energy: -27.432
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -34.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -462.132909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.132909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.132909 (E_RNA)
where:
Base-Base interactions energy: -289.323
where: short stacking energy: -130.455
Base-Backbone interact. energy: 0.176
local terms energy: -172.986053
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -38.485
flat angles C4'-P-C4' energy: -35.277
flat angles P-C4'-P energy: -22.163
tors. eta vs tors. theta energy: -46.584
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: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -307.622978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.622978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.622978 (E_RNA)
where:
Base-Base interactions energy: -166.932
where: short stacking energy: -72.575
Base-Backbone interact. energy: -1.117
local terms energy: -139.573370
where:
bonds (distance) C4'-P energy: -37.711
bonds (distance) P-C4' energy: -28.952
flat angles C4'-P-C4' energy: -35.637
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: -18.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -191.599215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.599215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.599215 (E_RNA)
where:
Base-Base interactions energy: -85.840
where: short stacking energy: -69.715
Base-Backbone interact. energy: -0.343
local terms energy: -105.415783
where:
bonds (distance) C4'-P energy: -24.916
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -24.726
flat angles P-C4'-P energy: -17.212
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -174.152937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.152937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.152937 (E_RNA)
where:
Base-Base interactions energy: -74.952
where: short stacking energy: -44.583
Base-Backbone interact. energy: -1.505
local terms energy: -97.696674
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -31.006
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -17.736
tors. eta vs tors. theta energy: 1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -154.711916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.711916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.711916 (E_RNA)
where:
Base-Base interactions energy: -57.461
where: short stacking energy: -46.946
Base-Backbone interact. energy: -1.044
local terms energy: -96.207210
where:
bonds (distance) C4'-P energy: -29.655
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: 8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -149.935250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.935250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.935250 (E_RNA)
where:
Base-Base interactions energy: -53.740
where: short stacking energy: -41.613
Base-Backbone interact. energy: -0.951
local terms energy: -95.244304
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -31.044
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: 1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -554.556056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.556056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.556056 (E_RNA)
where:
Base-Base interactions energy: -363.861
where: short stacking energy: -180.097
Base-Backbone interact. energy: 1.776
local terms energy: -192.471308
where:
bonds (distance) C4'-P energy: -34.087
bonds (distance) P-C4' energy: -30.864
flat angles C4'-P-C4' energy: -39.949
flat angles P-C4'-P energy: -28.909
tors. eta vs tors. theta energy: -58.662
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: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -537.679283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.679283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.679283 (E_RNA)
where:
Base-Base interactions energy: -362.589
where: short stacking energy: -152.653
Base-Backbone interact. energy: -0.336
local terms energy: -174.754828
where:
bonds (distance) C4'-P energy: -35.258
bonds (distance) P-C4' energy: -34.216
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -23.396
tors. eta vs tors. theta energy: -52.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -450.345254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.345254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.345254 (E_RNA)
where:
Base-Base interactions energy: -297.244
where: short stacking energy: -124.517
Base-Backbone interact. energy: -0.983
local terms energy: -152.119133
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -39.935
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -33.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -458.376812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.376812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.376812 (E_RNA)
where:
Base-Base interactions energy: -298.773
where: short stacking energy: -134.289
Base-Backbone interact. energy: 0.345
local terms energy: -159.949461
where:
bonds (distance) C4'-P energy: -28.683
bonds (distance) P-C4' energy: -29.877
flat angles C4'-P-C4' energy: -43.597
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: -35.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -428.906527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.906527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.906527 (E_RNA)
where:
Base-Base interactions energy: -278.569
where: short stacking energy: -120.145
Base-Backbone interact. energy: -0.037
local terms energy: -150.300485
where:
bonds (distance) C4'-P energy: -33.682
bonds (distance) P-C4' energy: -31.630
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -24.632
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: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -361.014458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.014458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.014458 (E_RNA)
where:
Base-Base interactions energy: -211.989
where: short stacking energy: -105.336
Base-Backbone interact. energy: -1.121
local terms energy: -147.903538
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -33.749
flat angles P-C4'-P energy: -23.188
tors. eta vs tors. theta energy: -25.625
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: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -185.710045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.710045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.710045 (E_RNA)
where:
Base-Base interactions energy: -77.809
where: short stacking energy: -47.292
Base-Backbone interact. energy: -0.572
local terms energy: -107.328454
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -34.135
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -19.420
tors. eta vs tors. theta energy: 6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -174.223072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.223072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.223072 (E_RNA)
where:
Base-Base interactions energy: -59.497
where: short stacking energy: -48.873
Base-Backbone interact. energy: -0.346
local terms energy: -114.379492
where:
bonds (distance) C4'-P energy: -31.612
bonds (distance) P-C4' energy: -31.847
flat angles C4'-P-C4' energy: -25.305
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -157.911190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.911190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.911190 (E_RNA)
where:
Base-Base interactions energy: -41.053
where: short stacking energy: -41.353
Base-Backbone interact. energy: -1.034
local terms energy: -115.824689
where:
bonds (distance) C4'-P energy: -34.614
bonds (distance) P-C4' energy: -37.901
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -171.998810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.998810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.998810 (E_RNA)
where:
Base-Base interactions energy: -69.453
where: short stacking energy: -56.291
Base-Backbone interact. energy: -0.330
local terms energy: -102.216061
where:
bonds (distance) C4'-P energy: -29.656
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -555.117086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.117086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.117086 (E_RNA)
where:
Base-Base interactions energy: -369.500
where: short stacking energy: -182.169
Base-Backbone interact. energy: -0.009
local terms energy: -185.607586
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -35.260
flat angles C4'-P-C4' energy: -36.832
flat angles P-C4'-P energy: -25.963
tors. eta vs tors. theta energy: -58.123
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: 287
Temperature: 0.950000
Total energy: -544.674667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.674667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.674667 (E_RNA)
where:
Base-Base interactions energy: -370.922
where: short stacking energy: -161.439
Base-Backbone interact. energy: -0.662
local terms energy: -173.089889
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -37.289
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -51.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -451.610764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.610764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.610764 (E_RNA)
where:
Base-Base interactions energy: -291.188
where: short stacking energy: -133.981
Base-Backbone interact. energy: 3.696
local terms energy: -164.118762
where:
bonds (distance) C4'-P energy: -37.757
bonds (distance) P-C4' energy: -38.339
flat angles C4'-P-C4' energy: -35.670
flat angles P-C4'-P energy: -22.469
tors. eta vs tors. theta energy: -29.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -446.990842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.990842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.990842 (E_RNA)
where:
Base-Base interactions energy: -293.071
where: short stacking energy: -124.171
Base-Backbone interact. energy: -0.299
local terms energy: -153.621516
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -35.135
flat angles C4'-P-C4' energy: -32.467
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -34.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -439.949340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.949340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.949340 (E_RNA)
where:
Base-Base interactions energy: -282.376
where: short stacking energy: -121.931
Base-Backbone interact. energy: -1.147
local terms energy: -156.426164
where:
bonds (distance) C4'-P energy: -33.938
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -40.738
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -34.983
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: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -293.136876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.136876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.136876 (E_RNA)
where:
Base-Base interactions energy: -176.229
where: short stacking energy: -87.783
Base-Backbone interact. energy: -0.959
local terms energy: -115.948827
where:
bonds (distance) C4'-P energy: -28.802
bonds (distance) P-C4' energy: -28.754
flat angles C4'-P-C4' energy: -26.533
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -12.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -198.153451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.153451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.153451 (E_RNA)
where:
Base-Base interactions energy: -78.028
where: short stacking energy: -57.228
Base-Backbone interact. energy: -0.639
local terms energy: -119.487270
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -31.245
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -155.154010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.154010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.154010 (E_RNA)
where:
Base-Base interactions energy: -41.569
where: short stacking energy: -30.808
Base-Backbone interact. energy: -0.398
local terms energy: -113.186838
where:
bonds (distance) C4'-P energy: -34.975
bonds (distance) P-C4' energy: -36.332
flat angles C4'-P-C4' energy: -26.774
flat angles P-C4'-P energy: -22.835
tors. eta vs tors. theta energy: 7.731
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: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -158.364461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.364461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.364461 (E_RNA)
where:
Base-Base interactions energy: -59.470
where: short stacking energy: -52.615
Base-Backbone interact. energy: -0.370
local terms energy: -98.524380
where:
bonds (distance) C4'-P energy: -31.885
bonds (distance) P-C4' energy: -27.687
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -9.201
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: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -143.663686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.663686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.663686 (E_RNA)
where:
Base-Base interactions energy: -35.620
where: short stacking energy: -28.528
Base-Backbone interact. energy: -1.055
local terms energy: -106.989071
where:
bonds (distance) C4'-P energy: -32.446
bonds (distance) P-C4' energy: -24.817
flat angles C4'-P-C4' energy: -27.278
flat angles P-C4'-P energy: -22.348
tors. eta vs tors. theta energy: -0.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -559.544037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.544037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.544037 (E_RNA)
where:
Base-Base interactions energy: -381.766
where: short stacking energy: -161.413
Base-Backbone interact. energy: -0.497
local terms energy: -177.280631
where:
bonds (distance) C4'-P energy: -37.442
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -31.914
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -52.050
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: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -537.802486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.802486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.802486 (E_RNA)
where:
Base-Base interactions energy: -334.324
where: short stacking energy: -159.693
Base-Backbone interact. energy: -0.064
local terms energy: -203.415282
where:
bonds (distance) C4'-P energy: -37.109
bonds (distance) P-C4' energy: -38.641
flat angles C4'-P-C4' energy: -41.800
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -60.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -480.574754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.574754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.574754 (E_RNA)
where:
Base-Base interactions energy: -318.440
where: short stacking energy: -125.470
Base-Backbone interact. energy: -1.240
local terms energy: -160.894279
where:
bonds (distance) C4'-P energy: -31.804
bonds (distance) P-C4' energy: -35.029
flat angles C4'-P-C4' energy: -44.021
flat angles P-C4'-P energy: -21.982
tors. eta vs tors. theta energy: -28.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -462.079956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.079956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.079956 (E_RNA)
where:
Base-Base interactions energy: -302.128
where: short stacking energy: -136.036
Base-Backbone interact. energy: -0.656
local terms energy: -159.295645
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -23.323
tors. eta vs tors. theta energy: -38.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -456.109655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.109655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.109655 (E_RNA)
where:
Base-Base interactions energy: -308.191
where: short stacking energy: -118.980
Base-Backbone interact. energy: 2.416
local terms energy: -150.335433
where:
bonds (distance) C4'-P energy: -30.053
bonds (distance) P-C4' energy: -31.076
flat angles C4'-P-C4' energy: -31.230
flat angles P-C4'-P energy: -25.205
tors. eta vs tors. theta energy: -32.771
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: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -327.734120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.734120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.734120 (E_RNA)
where:
Base-Base interactions energy: -190.314
where: short stacking energy: -90.518
Base-Backbone interact. energy: -1.315
local terms energy: -136.105079
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -30.403
flat angles C4'-P-C4' energy: -33.937
flat angles P-C4'-P energy: -24.700
tors. eta vs tors. theta energy: -23.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -178.488602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.488602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.488602 (E_RNA)
where:
Base-Base interactions energy: -69.255
where: short stacking energy: -50.044
Base-Backbone interact. energy: 1.167
local terms energy: -110.400565
where:
bonds (distance) C4'-P energy: -31.608
bonds (distance) P-C4' energy: -31.676
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: 2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -173.986488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.986488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.986488 (E_RNA)
where:
Base-Base interactions energy: -51.492
where: short stacking energy: -40.195
Base-Backbone interact. energy: -0.576
local terms energy: -121.917928
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -35.391
flat angles C4'-P-C4' energy: -32.672
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -146.906231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.906231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.906231 (E_RNA)
where:
Base-Base interactions energy: -34.892
where: short stacking energy: -22.623
Base-Backbone interact. energy: -0.321
local terms energy: -111.692997
where:
bonds (distance) C4'-P energy: -33.055
bonds (distance) P-C4' energy: -35.885
flat angles C4'-P-C4' energy: -30.427
flat angles P-C4'-P energy: -22.532
tors. eta vs tors. theta energy: 10.206
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: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -144.685436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.685436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.685436 (E_RNA)
where:
Base-Base interactions energy: -38.918
where: short stacking energy: -36.988
Base-Backbone interact. energy: -0.462
local terms energy: -105.305471
where:
bonds (distance) C4'-P energy: -35.462
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -27.197
flat angles P-C4'-P energy: -17.591
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: 289
Temperature: 0.900000
Total energy: -550.520767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.520767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.520767 (E_RNA)
where:
Base-Base interactions energy: -368.570
where: short stacking energy: -169.380
Base-Backbone interact. energy: -0.493
local terms energy: -181.458453
where:
bonds (distance) C4'-P energy: -37.033
bonds (distance) P-C4' energy: -36.992
flat angles C4'-P-C4' energy: -33.170
flat angles P-C4'-P energy: -22.544
tors. eta vs tors. theta energy: -51.719
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: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -524.012583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.012583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.012583 (E_RNA)
where:
Base-Base interactions energy: -328.705
where: short stacking energy: -167.867
Base-Backbone interact. energy: -0.102
local terms energy: -195.205118
where:
bonds (distance) C4'-P energy: -33.998
bonds (distance) P-C4' energy: -37.306
flat angles C4'-P-C4' energy: -37.083
flat angles P-C4'-P energy: -30.199
tors. eta vs tors. theta energy: -56.620
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: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -495.209037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.209037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.209037 (E_RNA)
where:
Base-Base interactions energy: -331.228
where: short stacking energy: -137.978
Base-Backbone interact. energy: -1.050
local terms energy: -162.930380
where:
bonds (distance) C4'-P energy: -30.958
bonds (distance) P-C4' energy: -38.032
flat angles C4'-P-C4' energy: -36.835
flat angles P-C4'-P energy: -19.607
tors. eta vs tors. theta energy: -37.499
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: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -470.855542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.855542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.855542 (E_RNA)
where:
Base-Base interactions energy: -314.761
where: short stacking energy: -125.222
Base-Backbone interact. energy: 1.702
local terms energy: -157.796755
where:
bonds (distance) C4'-P energy: -28.778
bonds (distance) P-C4' energy: -35.296
flat angles C4'-P-C4' energy: -35.592
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: -39.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -458.037470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.037470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.037470 (E_RNA)
where:
Base-Base interactions energy: -297.418
where: short stacking energy: -125.356
Base-Backbone interact. energy: -0.320
local terms energy: -160.299308
where:
bonds (distance) C4'-P energy: -33.843
bonds (distance) P-C4' energy: -31.061
flat angles C4'-P-C4' energy: -28.362
flat angles P-C4'-P energy: -25.661
tors. eta vs tors. theta energy: -41.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -304.542103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.542103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.542103 (E_RNA)
where:
Base-Base interactions energy: -172.364
where: short stacking energy: -99.326
Base-Backbone interact. energy: -1.300
local terms energy: -130.878209
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -34.639
flat angles C4'-P-C4' energy: -30.909
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -182.600687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.600687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.600687 (E_RNA)
where:
Base-Base interactions energy: -70.101
where: short stacking energy: -56.531
Base-Backbone interact. energy: 0.706
local terms energy: -113.204853
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -34.483
flat angles P-C4'-P energy: -18.850
tors. eta vs tors. theta energy: -1.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -192.305292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.305292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.305292 (E_RNA)
where:
Base-Base interactions energy: -96.030
where: short stacking energy: -61.352
Base-Backbone interact. energy: 0.278
local terms energy: -96.553728
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -33.802
flat angles C4'-P-C4' energy: -32.721
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -155.500406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.500406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.500406 (E_RNA)
where:
Base-Base interactions energy: -68.629
where: short stacking energy: -37.997
Base-Backbone interact. energy: -2.018
local terms energy: -84.852793
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -27.339
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: 8.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -155.607287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.607287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.607287 (E_RNA)
where:
Base-Base interactions energy: -51.615
where: short stacking energy: -32.359
Base-Backbone interact. energy: 0.680
local terms energy: -104.671560
where:
bonds (distance) C4'-P energy: -27.433
bonds (distance) P-C4' energy: -32.725
flat angles C4'-P-C4' energy: -30.965
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -557.518705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.518705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.518705 (E_RNA)
where:
Base-Base interactions energy: -377.878
where: short stacking energy: -179.195
Base-Backbone interact. energy: -0.304
local terms energy: -179.337066
where:
bonds (distance) C4'-P energy: -29.347
bonds (distance) P-C4' energy: -34.021
flat angles C4'-P-C4' energy: -39.677
flat angles P-C4'-P energy: -23.996
tors. eta vs tors. theta energy: -52.296
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: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -534.035775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.035775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.035775 (E_RNA)
where:
Base-Base interactions energy: -357.334
where: short stacking energy: -166.351
Base-Backbone interact. energy: -0.049
local terms energy: -176.652717
where:
bonds (distance) C4'-P energy: -30.418
bonds (distance) P-C4' energy: -27.553
flat angles C4'-P-C4' energy: -38.443
flat angles P-C4'-P energy: -27.541
tors. eta vs tors. theta energy: -52.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -507.369418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.369418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.369418 (E_RNA)
where:
Base-Base interactions energy: -335.087
where: short stacking energy: -147.413
Base-Backbone interact. energy: -0.917
local terms energy: -171.365364
where:
bonds (distance) C4'-P energy: -32.492
bonds (distance) P-C4' energy: -40.159
flat angles C4'-P-C4' energy: -35.561
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -43.024
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: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -479.125121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.125121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.125121 (E_RNA)
where:
Base-Base interactions energy: -305.431
where: short stacking energy: -125.922
Base-Backbone interact. energy: -0.106
local terms energy: -173.587977
where:
bonds (distance) C4'-P energy: -34.937
bonds (distance) P-C4' energy: -43.375
flat angles C4'-P-C4' energy: -33.094
flat angles P-C4'-P energy: -22.317
tors. eta vs tors. theta energy: -39.866
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: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -445.298829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.298829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.298829 (E_RNA)
where:
Base-Base interactions energy: -301.974
where: short stacking energy: -124.051
Base-Backbone interact. energy: -0.691
local terms energy: -142.634116
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -41.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -339.695567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.695567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.695567 (E_RNA)
where:
Base-Base interactions energy: -187.449
where: short stacking energy: -101.942
Base-Backbone interact. energy: 0.143
local terms energy: -152.388844
where:
bonds (distance) C4'-P energy: -33.539
bonds (distance) P-C4' energy: -38.405
flat angles C4'-P-C4' energy: -32.156
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -24.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -259.820027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.820027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.820027 (E_RNA)
where:
Base-Base interactions energy: -136.069
where: short stacking energy: -78.741
Base-Backbone interact. energy: -0.577
local terms energy: -123.173037
where:
bonds (distance) C4'-P energy: -32.661
bonds (distance) P-C4' energy: -28.097
flat angles C4'-P-C4' energy: -28.316
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -165.068778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.068778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.068778 (E_RNA)
where:
Base-Base interactions energy: -46.767
where: short stacking energy: -45.097
Base-Backbone interact. energy: 1.575
local terms energy: -119.875978
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -32.272
flat angles C4'-P-C4' energy: -30.596
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -6.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -157.031847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.031847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.031847 (E_RNA)
where:
Base-Base interactions energy: -53.017
where: short stacking energy: -45.734
Base-Backbone interact. energy: -0.459
local terms energy: -103.555829
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -29.922
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -143.360991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.360991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.360991 (E_RNA)
where:
Base-Base interactions energy: -54.726
where: short stacking energy: -43.938
Base-Backbone interact. energy: -0.800
local terms energy: -87.834727
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -35.286
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: 1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -562.285634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.285634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.285634 (E_RNA)
where:
Base-Base interactions energy: -373.643
where: short stacking energy: -166.061
Base-Backbone interact. energy: -0.128
local terms energy: -188.514372
where:
bonds (distance) C4'-P energy: -39.362
bonds (distance) P-C4' energy: -33.249
flat angles C4'-P-C4' energy: -39.498
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -50.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -543.969567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.969567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.969567 (E_RNA)
where:
Base-Base interactions energy: -349.481
where: short stacking energy: -169.494
Base-Backbone interact. energy: -0.041
local terms energy: -194.447623
where:
bonds (distance) C4'-P energy: -31.321
bonds (distance) P-C4' energy: -39.464
flat angles C4'-P-C4' energy: -41.140
flat angles P-C4'-P energy: -24.243
tors. eta vs tors. theta energy: -58.280
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: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -502.976305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.976305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.976305 (E_RNA)
where:
Base-Base interactions energy: -332.210
where: short stacking energy: -125.966
Base-Backbone interact. energy: -0.881
local terms energy: -169.885397
where:
bonds (distance) C4'-P energy: -36.174
bonds (distance) P-C4' energy: -29.451
flat angles C4'-P-C4' energy: -35.329
flat angles P-C4'-P energy: -30.605
tors. eta vs tors. theta energy: -38.326
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: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -476.590740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.590740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.590740 (E_RNA)
where:
Base-Base interactions energy: -317.322
where: short stacking energy: -154.743
Base-Backbone interact. energy: -0.006
local terms energy: -159.262993
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -31.061
flat angles C4'-P-C4' energy: -34.275
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -49.753
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: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -427.957744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.957744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.957744 (E_RNA)
where:
Base-Base interactions energy: -285.235
where: short stacking energy: -115.631
Base-Backbone interact. energy: 0.546
local terms energy: -143.268467
where:
bonds (distance) C4'-P energy: -27.841
bonds (distance) P-C4' energy: -28.893
flat angles C4'-P-C4' energy: -32.678
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -31.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -322.913548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.913548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.913548 (E_RNA)
where:
Base-Base interactions energy: -200.120
where: short stacking energy: -104.177
Base-Backbone interact. energy: -0.485
local terms energy: -122.308234
where:
bonds (distance) C4'-P energy: -29.085
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -23.429
flat angles P-C4'-P energy: -23.598
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -279.253753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.253753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.253753 (E_RNA)
where:
Base-Base interactions energy: -142.476
where: short stacking energy: -66.746
Base-Backbone interact. energy: -0.137
local terms energy: -136.641482
where:
bonds (distance) C4'-P energy: -32.746
bonds (distance) P-C4' energy: -34.662
flat angles C4'-P-C4' energy: -30.195
flat angles P-C4'-P energy: -18.884
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: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -176.696430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.696430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.696430 (E_RNA)
where:
Base-Base interactions energy: -71.448
where: short stacking energy: -38.651
Base-Backbone interact. energy: -0.875
local terms energy: -104.373201
where:
bonds (distance) C4'-P energy: -30.279
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -25.585
tors. eta vs tors. theta energy: 7.774
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: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -161.876562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.876562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.876562 (E_RNA)
where:
Base-Base interactions energy: -58.711
where: short stacking energy: -33.583
Base-Backbone interact. energy: -1.455
local terms energy: -101.710867
where:
bonds (distance) C4'-P energy: -34.943
bonds (distance) P-C4' energy: -32.708
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: 6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -139.600466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.600466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.600466 (E_RNA)
where:
Base-Base interactions energy: -48.038
where: short stacking energy: -43.403
Base-Backbone interact. energy: -0.070
local terms energy: -91.492114
where:
bonds (distance) C4'-P energy: -34.263
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -555.934985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.934985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.934985 (E_RNA)
where:
Base-Base interactions energy: -370.929
where: short stacking energy: -159.388
Base-Backbone interact. energy: -0.113
local terms energy: -184.892843
where:
bonds (distance) C4'-P energy: -36.482
bonds (distance) P-C4' energy: -34.570
flat angles C4'-P-C4' energy: -36.660
flat angles P-C4'-P energy: -25.906
tors. eta vs tors. theta energy: -51.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -548.255160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.255160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.255160 (E_RNA)
where:
Base-Base interactions energy: -349.834
where: short stacking energy: -173.739
Base-Backbone interact. energy: -0.021
local terms energy: -198.399723
where:
bonds (distance) C4'-P energy: -33.104
bonds (distance) P-C4' energy: -37.223
flat angles C4'-P-C4' energy: -40.520
flat angles P-C4'-P energy: -26.589
tors. eta vs tors. theta energy: -60.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -494.616005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.616005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.616005 (E_RNA)
where:
Base-Base interactions energy: -335.185
where: short stacking energy: -133.461
Base-Backbone interact. energy: 0.978
local terms energy: -160.409075
where:
bonds (distance) C4'-P energy: -26.212
bonds (distance) P-C4' energy: -31.662
flat angles C4'-P-C4' energy: -38.953
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -41.450
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: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -468.771906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.771906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.771906 (E_RNA)
where:
Base-Base interactions energy: -308.543
where: short stacking energy: -136.996
Base-Backbone interact. energy: -0.607
local terms energy: -159.622356
where:
bonds (distance) C4'-P energy: -23.851
bonds (distance) P-C4' energy: -31.218
flat angles C4'-P-C4' energy: -34.957
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: -45.676
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: 292
Temperature: 1.100000
Total energy: -424.360657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.360657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.360657 (E_RNA)
where:
Base-Base interactions energy: -286.574
where: short stacking energy: -124.004
Base-Backbone interact. energy: -0.468
local terms energy: -137.318875
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -35.032
flat angles P-C4'-P energy: -16.206
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: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -299.905787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.905787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.905787 (E_RNA)
where:
Base-Base interactions energy: -167.188
where: short stacking energy: -88.149
Base-Backbone interact. energy: -0.130
local terms energy: -132.587752
where:
bonds (distance) C4'-P energy: -29.536
bonds (distance) P-C4' energy: -35.636
flat angles C4'-P-C4' energy: -38.089
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -186.789109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.789109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.789109 (E_RNA)
where:
Base-Base interactions energy: -81.840
where: short stacking energy: -63.761
Base-Backbone interact. energy: -0.197
local terms energy: -104.752315
where:
bonds (distance) C4'-P energy: -32.714
bonds (distance) P-C4' energy: -28.087
flat angles C4'-P-C4' energy: -28.596
flat angles P-C4'-P energy: -21.783
tors. eta vs tors. theta energy: 6.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -169.201664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.201664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.201664 (E_RNA)
where:
Base-Base interactions energy: -69.649
where: short stacking energy: -49.542
Base-Backbone interact. energy: 1.217
local terms energy: -100.769772
where:
bonds (distance) C4'-P energy: -27.807
bonds (distance) P-C4' energy: -31.848
flat angles C4'-P-C4' energy: -30.689
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -158.376326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.376326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.376326 (E_RNA)
where:
Base-Base interactions energy: -70.505
where: short stacking energy: -31.900
Base-Backbone interact. energy: -1.106
local terms energy: -86.765532
where:
bonds (distance) C4'-P energy: -23.822
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: 9.365
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: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -149.727558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.727558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.727558 (E_RNA)
where:
Base-Base interactions energy: -55.491
where: short stacking energy: -47.281
Base-Backbone interact. energy: -0.342
local terms energy: -93.893867
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -29.621
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -19.292
tors. eta vs tors. theta energy: -0.612
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: 293
Temperature: 0.900000
Total energy: -553.290774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.290774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.290774 (E_RNA)
where:
Base-Base interactions energy: -373.081
where: short stacking energy: -150.504
Base-Backbone interact. energy: -0.008
local terms energy: -180.201407
where:
bonds (distance) C4'-P energy: -33.506
bonds (distance) P-C4' energy: -33.532
flat angles C4'-P-C4' energy: -40.752
flat angles P-C4'-P energy: -24.136
tors. eta vs tors. theta energy: -48.276
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: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -536.410900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.410900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.410900 (E_RNA)
where:
Base-Base interactions energy: -356.568
where: short stacking energy: -168.439
Base-Backbone interact. energy: -0.038
local terms energy: -179.804143
where:
bonds (distance) C4'-P energy: -32.025
bonds (distance) P-C4' energy: -32.724
flat angles C4'-P-C4' energy: -36.808
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -57.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -501.181467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.181467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.181467 (E_RNA)
where:
Base-Base interactions energy: -333.423
where: short stacking energy: -125.078
Base-Backbone interact. energy: -0.669
local terms energy: -167.090365
where:
bonds (distance) C4'-P energy: -31.311
bonds (distance) P-C4' energy: -29.915
flat angles C4'-P-C4' energy: -40.808
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: -38.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -445.691102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.691102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.691102 (E_RNA)
where:
Base-Base interactions energy: -282.816
where: short stacking energy: -122.789
Base-Backbone interact. energy: -0.190
local terms energy: -162.684891
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -29.042
flat angles C4'-P-C4' energy: -35.596
flat angles P-C4'-P energy: -27.288
tors. eta vs tors. theta energy: -38.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -465.407872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.407872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.407872 (E_RNA)
where:
Base-Base interactions energy: -314.029
where: short stacking energy: -139.601
Base-Backbone interact. energy: -0.109
local terms energy: -151.270088
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -36.727
flat angles C4'-P-C4' energy: -28.742
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -46.240
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: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -293.345715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.345715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.345715 (E_RNA)
where:
Base-Base interactions energy: -161.619
where: short stacking energy: -69.831
Base-Backbone interact. energy: -0.965
local terms energy: -130.761179
where:
bonds (distance) C4'-P energy: -31.615
bonds (distance) P-C4' energy: -32.130
flat angles C4'-P-C4' energy: -34.108
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -10.158
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: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -184.306995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.306995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.306995 (E_RNA)
where:
Base-Base interactions energy: -81.316
where: short stacking energy: -66.411
Base-Backbone interact. energy: 1.445
local terms energy: -104.436038
where:
bonds (distance) C4'-P energy: -28.858
bonds (distance) P-C4' energy: -29.365
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -195.110123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.110123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.110123 (E_RNA)
where:
Base-Base interactions energy: -77.970
where: short stacking energy: -60.646
Base-Backbone interact. energy: -0.731
local terms energy: -116.408271
where:
bonds (distance) C4'-P energy: -34.018
bonds (distance) P-C4' energy: -30.042
flat angles C4'-P-C4' energy: -32.216
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -5.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -168.327079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.327079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.327079 (E_RNA)
where:
Base-Base interactions energy: -62.373
where: short stacking energy: -37.788
Base-Backbone interact. energy: 1.440
local terms energy: -107.393629
where:
bonds (distance) C4'-P energy: -29.061
bonds (distance) P-C4' energy: -33.323
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -138.152428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.152428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.152428 (E_RNA)
where:
Base-Base interactions energy: -30.326
where: short stacking energy: -28.377
Base-Backbone interact. energy: 2.665
local terms energy: -110.491460
where:
bonds (distance) C4'-P energy: -31.789
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -25.326
flat angles P-C4'-P energy: -21.967
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: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -552.359418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.359418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.359418 (E_RNA)
where:
Base-Base interactions energy: -374.634
where: short stacking energy: -151.187
Base-Backbone interact. energy: -0.020
local terms energy: -177.704869
where:
bonds (distance) C4'-P energy: -40.400
bonds (distance) P-C4' energy: -34.980
flat angles C4'-P-C4' energy: -32.203
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -51.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -532.141727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.141727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.141727 (E_RNA)
where:
Base-Base interactions energy: -335.009
where: short stacking energy: -171.443
Base-Backbone interact. energy: -0.096
local terms energy: -197.036610
where:
bonds (distance) C4'-P energy: -36.355
bonds (distance) P-C4' energy: -37.618
flat angles C4'-P-C4' energy: -39.525
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -59.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -509.575330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.575330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.575330 (E_RNA)
where:
Base-Base interactions energy: -322.145
where: short stacking energy: -136.029
Base-Backbone interact. energy: -0.098
local terms energy: -187.332696
where:
bonds (distance) C4'-P energy: -35.524
bonds (distance) P-C4' energy: -41.429
flat angles C4'-P-C4' energy: -43.111
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -44.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -458.746769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.746769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.746769 (E_RNA)
where:
Base-Base interactions energy: -299.706
where: short stacking energy: -130.337
Base-Backbone interact. energy: -0.035
local terms energy: -159.005857
where:
bonds (distance) C4'-P energy: -33.565
bonds (distance) P-C4' energy: -33.992
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -23.939
tors. eta vs tors. theta energy: -38.066
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: 294
Temperature: 1.100000
Total energy: -460.567472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.567472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.567472 (E_RNA)
where:
Base-Base interactions energy: -304.423
where: short stacking energy: -127.410
Base-Backbone interact. energy: -0.500
local terms energy: -155.644410
where:
bonds (distance) C4'-P energy: -34.226
bonds (distance) P-C4' energy: -32.759
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -18.570
tors. eta vs tors. theta energy: -38.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -327.221538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.221538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.221538 (E_RNA)
where:
Base-Base interactions energy: -194.137
where: short stacking energy: -93.175
Base-Backbone interact. energy: 1.274
local terms energy: -134.358803
where:
bonds (distance) C4'-P energy: -29.958
bonds (distance) P-C4' energy: -31.753
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -180.399016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.399016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.399016 (E_RNA)
where:
Base-Base interactions energy: -60.005
where: short stacking energy: -51.353
Base-Backbone interact. energy: -0.372
local terms energy: -120.021484
where:
bonds (distance) C4'-P energy: -37.839
bonds (distance) P-C4' energy: -32.870
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -194.796117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.796117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.796117 (E_RNA)
where:
Base-Base interactions energy: -77.044
where: short stacking energy: -41.974
Base-Backbone interact. energy: -0.960
local terms energy: -116.792225
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -34.510
flat angles C4'-P-C4' energy: -32.771
flat angles P-C4'-P energy: -16.829
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: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -169.465938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.465938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.465938 (E_RNA)
where:
Base-Base interactions energy: -64.226
where: short stacking energy: -37.253
Base-Backbone interact. energy: 0.466
local terms energy: -105.705226
where:
bonds (distance) C4'-P energy: -25.138
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: 5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -156.402739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.402739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.402739 (E_RNA)
where:
Base-Base interactions energy: -46.680
where: short stacking energy: -36.290
Base-Backbone interact. energy: -0.543
local terms energy: -109.179795
where:
bonds (distance) C4'-P energy: -33.193
bonds (distance) P-C4' energy: -31.407
flat angles C4'-P-C4' energy: -29.284
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: 1.370
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: 295
Temperature: 0.900000
Total energy: -553.008615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.008615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.008615 (E_RNA)
where:
Base-Base interactions energy: -381.256
where: short stacking energy: -156.535
Base-Backbone interact. energy: -0.106
local terms energy: -171.646338
where:
bonds (distance) C4'-P energy: -25.431
bonds (distance) P-C4' energy: -38.665
flat angles C4'-P-C4' energy: -34.615
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -48.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -551.595418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.595418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.595418 (E_RNA)
where:
Base-Base interactions energy: -360.211
where: short stacking energy: -172.784
Base-Backbone interact. energy: -0.011
local terms energy: -191.373368
where:
bonds (distance) C4'-P energy: -34.798
bonds (distance) P-C4' energy: -31.663
flat angles C4'-P-C4' energy: -41.870
flat angles P-C4'-P energy: -26.700
tors. eta vs tors. theta energy: -56.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -468.040502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.040502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.040502 (E_RNA)
where:
Base-Base interactions energy: -305.292
where: short stacking energy: -133.465
Base-Backbone interact. energy: -0.503
local terms energy: -162.245303
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -33.591
flat angles C4'-P-C4' energy: -39.400
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -36.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -482.007555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.007555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.007555 (E_RNA)
where:
Base-Base interactions energy: -324.162
where: short stacking energy: -143.537
Base-Backbone interact. energy: 3.604
local terms energy: -161.449553
where:
bonds (distance) C4'-P energy: -29.831
bonds (distance) P-C4' energy: -37.716
flat angles C4'-P-C4' energy: -37.586
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -41.805
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: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -453.208522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.208522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.208522 (E_RNA)
where:
Base-Base interactions energy: -293.550
where: short stacking energy: -123.994
Base-Backbone interact. energy: -0.074
local terms energy: -159.584548
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -40.132
flat angles C4'-P-C4' energy: -29.024
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -38.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -385.235309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.235309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.235309 (E_RNA)
where:
Base-Base interactions energy: -229.545
where: short stacking energy: -105.842
Base-Backbone interact. energy: -1.411
local terms energy: -154.279135
where:
bonds (distance) C4'-P energy: -28.785
bonds (distance) P-C4' energy: -33.474
flat angles C4'-P-C4' energy: -36.762
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -36.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -186.914307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.914307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.914307 (E_RNA)
where:
Base-Base interactions energy: -67.286
where: short stacking energy: -51.241
Base-Backbone interact. energy: -0.439
local terms energy: -119.189331
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -37.792
flat angles C4'-P-C4' energy: -30.440
flat angles P-C4'-P energy: -22.878
tors. eta vs tors. theta energy: -0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -207.362417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.362417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.362417 (E_RNA)
where:
Base-Base interactions energy: -114.082
where: short stacking energy: -55.960
Base-Backbone interact. energy: -1.844
local terms energy: -91.436262
where:
bonds (distance) C4'-P energy: -32.423
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: 2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -193.484986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.484986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.484986 (E_RNA)
where:
Base-Base interactions energy: -100.655
where: short stacking energy: -57.023
Base-Backbone interact. energy: -1.192
local terms energy: -91.638831
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -34.199
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -20.442
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -169.743286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.743286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.743286 (E_RNA)
where:
Base-Base interactions energy: -65.205
where: short stacking energy: -51.926
Base-Backbone interact. energy: -1.498
local terms energy: -103.040318
where:
bonds (distance) C4'-P energy: -25.571
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -28.691
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -6.791
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: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -565.760393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.760393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.760393 (E_RNA)
where:
Base-Base interactions energy: -390.783
where: short stacking energy: -162.823
Base-Backbone interact. energy: -0.094
local terms energy: -174.883430
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -36.452
flat angles C4'-P-C4' energy: -33.682
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -51.850
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: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -536.132307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.132307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.132307 (E_RNA)
where:
Base-Base interactions energy: -342.861
where: short stacking energy: -160.592
Base-Backbone interact. energy: -0.002
local terms energy: -193.268345
where:
bonds (distance) C4'-P energy: -37.422
bonds (distance) P-C4' energy: -32.243
flat angles C4'-P-C4' energy: -40.421
flat angles P-C4'-P energy: -26.070
tors. eta vs tors. theta energy: -57.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -486.681389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.681389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.681389 (E_RNA)
where:
Base-Base interactions energy: -328.874
where: short stacking energy: -127.514
Base-Backbone interact. energy: -0.267
local terms energy: -157.540110
where:
bonds (distance) C4'-P energy: -32.365
bonds (distance) P-C4' energy: -35.815
flat angles C4'-P-C4' energy: -33.609
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -36.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -477.258663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.258663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.258663 (E_RNA)
where:
Base-Base interactions energy: -312.339
where: short stacking energy: -130.681
Base-Backbone interact. energy: -1.048
local terms energy: -163.872448
where:
bonds (distance) C4'-P energy: -34.281
bonds (distance) P-C4' energy: -36.331
flat angles C4'-P-C4' energy: -33.445
flat angles P-C4'-P energy: -22.467
tors. eta vs tors. theta energy: -37.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -489.452897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.452897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.452897 (E_RNA)
where:
Base-Base interactions energy: -331.051
where: short stacking energy: -143.881
Base-Backbone interact. energy: -0.200
local terms energy: -158.201280
where:
bonds (distance) C4'-P energy: -31.238
bonds (distance) P-C4' energy: -30.314
flat angles C4'-P-C4' energy: -32.611
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -43.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -362.249226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.249226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.249226 (E_RNA)
where:
Base-Base interactions energy: -215.341
where: short stacking energy: -88.840
Base-Backbone interact. energy: 0.670
local terms energy: -147.579076
where:
bonds (distance) C4'-P energy: -36.257
bonds (distance) P-C4' energy: -36.166
flat angles C4'-P-C4' energy: -33.071
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -22.771
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: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -191.097525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.097525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.097525 (E_RNA)
where:
Base-Base interactions energy: -91.913
where: short stacking energy: -62.530
Base-Backbone interact. energy: -1.188
local terms energy: -97.997169
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -30.705
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: 5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -196.421541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.421541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.421541 (E_RNA)
where:
Base-Base interactions energy: -84.625
where: short stacking energy: -52.066
Base-Backbone interact. energy: -1.047
local terms energy: -110.749461
where:
bonds (distance) C4'-P energy: -27.371
bonds (distance) P-C4' energy: -33.655
flat angles C4'-P-C4' energy: -26.748
flat angles P-C4'-P energy: -20.241
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -214.555770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.555770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.555770 (E_RNA)
where:
Base-Base interactions energy: -85.615
where: short stacking energy: -55.869
Base-Backbone interact. energy: -1.069
local terms energy: -127.871188
where:
bonds (distance) C4'-P energy: -35.701
bonds (distance) P-C4' energy: -33.652
flat angles C4'-P-C4' energy: -31.788
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -147.510314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.510314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.510314 (E_RNA)
where:
Base-Base interactions energy: -55.728
where: short stacking energy: -48.202
Base-Backbone interact. energy: 0.264
local terms energy: -92.046725
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -28.055
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -563.749260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.749260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.749260 (E_RNA)
where:
Base-Base interactions energy: -371.300
where: short stacking energy: -157.492
Base-Backbone interact. energy: 1.322
local terms energy: -193.771957
where:
bonds (distance) C4'-P energy: -36.713
bonds (distance) P-C4' energy: -38.887
flat angles C4'-P-C4' energy: -40.712
flat angles P-C4'-P energy: -24.905
tors. eta vs tors. theta energy: -52.554
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: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -519.446478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.446478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.446478 (E_RNA)
where:
Base-Base interactions energy: -342.399
where: short stacking energy: -161.963
Base-Backbone interact. energy: -0.917
local terms energy: -176.131296
where:
bonds (distance) C4'-P energy: -37.167
bonds (distance) P-C4' energy: -30.992
flat angles C4'-P-C4' energy: -33.461
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -50.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -488.622811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.622811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.622811 (E_RNA)
where:
Base-Base interactions energy: -323.623
where: short stacking energy: -139.135
Base-Backbone interact. energy: 0.261
local terms energy: -165.260368
where:
bonds (distance) C4'-P energy: -35.027
bonds (distance) P-C4' energy: -31.928
flat angles C4'-P-C4' energy: -41.507
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -43.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -498.326655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.326655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.326655 (E_RNA)
where:
Base-Base interactions energy: -323.151
where: short stacking energy: -127.957
Base-Backbone interact. energy: -0.343
local terms energy: -174.832957
where:
bonds (distance) C4'-P energy: -38.391
bonds (distance) P-C4' energy: -32.010
flat angles C4'-P-C4' energy: -41.779
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -43.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -495.421083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.421083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.421083 (E_RNA)
where:
Base-Base interactions energy: -325.024
where: short stacking energy: -147.309
Base-Backbone interact. energy: -0.170
local terms energy: -170.227319
where:
bonds (distance) C4'-P energy: -31.342
bonds (distance) P-C4' energy: -30.234
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: -48.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -346.190426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.190426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.190426 (E_RNA)
where:
Base-Base interactions energy: -195.513
where: short stacking energy: -96.088
Base-Backbone interact. energy: 0.616
local terms energy: -151.293023
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -32.863
flat angles C4'-P-C4' energy: -37.880
flat angles P-C4'-P energy: -24.669
tors. eta vs tors. theta energy: -30.047
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: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -184.515870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.515870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.515870 (E_RNA)
where:
Base-Base interactions energy: -59.801
where: short stacking energy: -51.835
Base-Backbone interact. energy: -0.452
local terms energy: -124.263250
where:
bonds (distance) C4'-P energy: -32.826
bonds (distance) P-C4' energy: -36.014
flat angles C4'-P-C4' energy: -29.943
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -207.596320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.596320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.596320 (E_RNA)
where:
Base-Base interactions energy: -100.216
where: short stacking energy: -53.680
Base-Backbone interact. energy: 0.931
local terms energy: -108.310661
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -32.090
flat angles C4'-P-C4' energy: -30.078
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -164.240595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.240595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.240595 (E_RNA)
where:
Base-Base interactions energy: -66.981
where: short stacking energy: -58.140
Base-Backbone interact. energy: -0.083
local terms energy: -97.176489
where:
bonds (distance) C4'-P energy: -32.120
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -164.969367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.969367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.969367 (E_RNA)
where:
Base-Base interactions energy: -64.486
where: short stacking energy: -40.231
Base-Backbone interact. energy: -0.444
local terms energy: -100.039060
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -26.824
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: 3.522
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: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -562.590953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.590953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.590953 (E_RNA)
where:
Base-Base interactions energy: -369.454
where: short stacking energy: -156.888
Base-Backbone interact. energy: -0.747
local terms energy: -192.390584
where:
bonds (distance) C4'-P energy: -38.698
bonds (distance) P-C4' energy: -34.574
flat angles C4'-P-C4' energy: -40.707
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: -52.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -522.456732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.456732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.456732 (E_RNA)
where:
Base-Base interactions energy: -340.299
where: short stacking energy: -154.243
Base-Backbone interact. energy: -0.291
local terms energy: -181.867489
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -34.831
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -58.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -504.317928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.317928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.317928 (E_RNA)
where:
Base-Base interactions energy: -343.018
where: short stacking energy: -133.957
Base-Backbone interact. energy: -0.873
local terms energy: -160.427000
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -35.777
flat angles C4'-P-C4' energy: -34.482
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -34.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -469.009231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.009231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.009231 (E_RNA)
where:
Base-Base interactions energy: -319.837
where: short stacking energy: -119.949
Base-Backbone interact. energy: 1.075
local terms energy: -150.246907
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -28.708
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -19.168
tors. eta vs tors. theta energy: -38.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -465.568204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.568204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.568204 (E_RNA)
where:
Base-Base interactions energy: -296.961
where: short stacking energy: -140.426
Base-Backbone interact. energy: -0.067
local terms energy: -168.539887
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -35.113
flat angles C4'-P-C4' energy: -37.157
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -48.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -305.508660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.508660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.508660 (E_RNA)
where:
Base-Base interactions energy: -165.469
where: short stacking energy: -88.913
Base-Backbone interact. energy: 1.214
local terms energy: -141.253458
where:
bonds (distance) C4'-P energy: -33.084
bonds (distance) P-C4' energy: -28.333
flat angles C4'-P-C4' energy: -37.431
flat angles P-C4'-P energy: -21.944
tors. eta vs tors. theta energy: -20.461
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: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -214.200016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.200016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.200016 (E_RNA)
where:
Base-Base interactions energy: -92.356
where: short stacking energy: -56.288
Base-Backbone interact. energy: 0.410
local terms energy: -122.253953
where:
bonds (distance) C4'-P energy: -37.329
bonds (distance) P-C4' energy: -36.361
flat angles C4'-P-C4' energy: -27.255
flat angles P-C4'-P energy: -18.622
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: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -178.073579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.073579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.073579 (E_RNA)
where:
Base-Base interactions energy: -62.097
where: short stacking energy: -40.105
Base-Backbone interact. energy: 3.242
local terms energy: -119.218892
where:
bonds (distance) C4'-P energy: -28.671
bonds (distance) P-C4' energy: -34.444
flat angles C4'-P-C4' energy: -34.922
flat angles P-C4'-P energy: -19.936
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: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -161.842879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.842879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.842879 (E_RNA)
where:
Base-Base interactions energy: -77.444
where: short stacking energy: -51.126
Base-Backbone interact. energy: 2.499
local terms energy: -86.897958
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -27.880
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: 1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -148.063161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.063161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.063161 (E_RNA)
where:
Base-Base interactions energy: -27.773
where: short stacking energy: -24.264
Base-Backbone interact. energy: -1.251
local terms energy: -119.038463
where:
bonds (distance) C4'-P energy: -35.839
bonds (distance) P-C4' energy: -32.492
flat angles C4'-P-C4' energy: -35.657
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: 6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -561.500895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.500895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.500895 (E_RNA)
where:
Base-Base interactions energy: -380.545
where: short stacking energy: -167.773
Base-Backbone interact. energy: 2.381
local terms energy: -183.336446
where:
bonds (distance) C4'-P energy: -34.074
bonds (distance) P-C4' energy: -32.431
flat angles C4'-P-C4' energy: -38.005
flat angles P-C4'-P energy: -28.032
tors. eta vs tors. theta energy: -50.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -531.156535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.156535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.156535 (E_RNA)
where:
Base-Base interactions energy: -350.764
where: short stacking energy: -141.286
Base-Backbone interact. energy: -0.739
local terms energy: -179.653864
where:
bonds (distance) C4'-P energy: -34.726
bonds (distance) P-C4' energy: -34.918
flat angles C4'-P-C4' energy: -36.757
flat angles P-C4'-P energy: -24.988
tors. eta vs tors. theta energy: -48.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -529.619816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.619816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.619816 (E_RNA)
where:
Base-Base interactions energy: -341.000
where: short stacking energy: -161.918
Base-Backbone interact. energy: -0.332
local terms energy: -188.287887
where:
bonds (distance) C4'-P energy: -34.463
bonds (distance) P-C4' energy: -34.732
flat angles C4'-P-C4' energy: -34.181
flat angles P-C4'-P energy: -26.098
tors. eta vs tors. theta energy: -58.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -460.883854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.883854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.883854 (E_RNA)
where:
Base-Base interactions energy: -304.471
where: short stacking energy: -127.564
Base-Backbone interact. energy: 1.275
local terms energy: -157.688085
where:
bonds (distance) C4'-P energy: -32.365
bonds (distance) P-C4' energy: -31.617
flat angles C4'-P-C4' energy: -34.327
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -37.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -508.574789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.574789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.574789 (E_RNA)
where:
Base-Base interactions energy: -339.731
where: short stacking energy: -149.520
Base-Backbone interact. energy: 0.204
local terms energy: -169.047677
where:
bonds (distance) C4'-P energy: -34.670
bonds (distance) P-C4' energy: -31.142
flat angles C4'-P-C4' energy: -37.408
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -51.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -299.930236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.930236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.930236 (E_RNA)
where:
Base-Base interactions energy: -163.091
where: short stacking energy: -85.141
Base-Backbone interact. energy: 0.240
local terms energy: -137.079802
where:
bonds (distance) C4'-P energy: -31.135
bonds (distance) P-C4' energy: -35.050
flat angles C4'-P-C4' energy: -31.862
flat angles P-C4'-P energy: -20.805
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: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -242.927682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.927682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.927682 (E_RNA)
where:
Base-Base interactions energy: -130.935
where: short stacking energy: -77.537
Base-Backbone interact. energy: -0.608
local terms energy: -111.384848
where:
bonds (distance) C4'-P energy: -31.632
bonds (distance) P-C4' energy: -35.638
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -17.562
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: 8, replica: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -192.608943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.608943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.608943 (E_RNA)
where:
Base-Base interactions energy: -87.789
where: short stacking energy: -37.774
Base-Backbone interact. energy: -0.171
local terms energy: -104.649488
where:
bonds (distance) C4'-P energy: -31.735
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -26.007
tors. eta vs tors. theta energy: 4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -143.678881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.678881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.678881 (E_RNA)
where:
Base-Base interactions energy: -37.198
where: short stacking energy: -27.803
Base-Backbone interact. energy: 0.624
local terms energy: -107.104359
where:
bonds (distance) C4'-P energy: -35.626
bonds (distance) P-C4' energy: -37.912
flat angles C4'-P-C4' energy: -28.091
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: 2.127
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: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -129.410222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.410222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.410222 (E_RNA)
where:
Base-Base interactions energy: -35.796
where: short stacking energy: -29.326
Base-Backbone interact. energy: -0.371
local terms energy: -93.243600
where:
bonds (distance) C4'-P energy: -33.305
bonds (distance) P-C4' energy: -33.040
flat angles C4'-P-C4' energy: -25.106
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: 8.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -560.505701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.505701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.505701 (E_RNA)
where:
Base-Base interactions energy: -376.683
where: short stacking energy: -152.061
Base-Backbone interact. energy: 0.646
local terms energy: -184.468941
where:
bonds (distance) C4'-P energy: -38.072
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -36.115
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -51.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -534.902869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.902869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.902869 (E_RNA)
where:
Base-Base interactions energy: -369.751
where: short stacking energy: -148.274
Base-Backbone interact. energy: -0.668
local terms energy: -164.484441
where:
bonds (distance) C4'-P energy: -30.681
bonds (distance) P-C4' energy: -32.905
flat angles C4'-P-C4' energy: -36.779
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -42.083
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: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -518.025701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.025701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.025701 (E_RNA)
where:
Base-Base interactions energy: -336.982
where: short stacking energy: -157.026
Base-Backbone interact. energy: -0.314
local terms energy: -180.729582
where:
bonds (distance) C4'-P energy: -31.534
bonds (distance) P-C4' energy: -30.433
flat angles C4'-P-C4' energy: -38.162
flat angles P-C4'-P energy: -24.286
tors. eta vs tors. theta energy: -56.315
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: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -456.309952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.309952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.309952 (E_RNA)
where:
Base-Base interactions energy: -292.086
where: short stacking energy: -125.268
Base-Backbone interact. energy: -0.741
local terms energy: -163.483536
where:
bonds (distance) C4'-P energy: -29.618
bonds (distance) P-C4' energy: -35.993
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -35.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -482.975030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.975030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.975030 (E_RNA)
where:
Base-Base interactions energy: -324.890
where: short stacking energy: -141.395
Base-Backbone interact. energy: -0.094
local terms energy: -157.990594
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -37.825
flat angles P-C4'-P energy: -22.555
tors. eta vs tors. theta energy: -46.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -317.030592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.030592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.030592 (E_RNA)
where:
Base-Base interactions energy: -180.839
where: short stacking energy: -86.345
Base-Backbone interact. energy: -0.358
local terms energy: -135.833594
where:
bonds (distance) C4'-P energy: -33.155
bonds (distance) P-C4' energy: -37.105
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -25.936
tors. eta vs tors. theta energy: -22.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -224.734667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.734667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.734667 (E_RNA)
where:
Base-Base interactions energy: -98.653
where: short stacking energy: -65.459
Base-Backbone interact. energy: -0.437
local terms energy: -125.644949
where:
bonds (distance) C4'-P energy: -33.207
bonds (distance) P-C4' energy: -36.232
flat angles C4'-P-C4' energy: -32.931
flat angles P-C4'-P energy: -16.716
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: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -182.075462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.075462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.075462 (E_RNA)
where:
Base-Base interactions energy: -78.151
where: short stacking energy: -53.653
Base-Backbone interact. energy: 0.187
local terms energy: -104.111942
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -36.342
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: -0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -151.490061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.490061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.490061 (E_RNA)
where:
Base-Base interactions energy: -43.928
where: short stacking energy: -36.452
Base-Backbone interact. energy: -0.681
local terms energy: -106.881216
where:
bonds (distance) C4'-P energy: -27.854
bonds (distance) P-C4' energy: -40.721
flat angles C4'-P-C4' energy: -29.665
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: 9.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -154.782325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.782325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.782325 (E_RNA)
where:
Base-Base interactions energy: -35.290
where: short stacking energy: -24.519
Base-Backbone interact. energy: 0.254
local terms energy: -119.746266
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -39.227
flat angles C4'-P-C4' energy: -25.691
flat angles P-C4'-P energy: -16.725
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: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -570.281684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.281684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.281684 (E_RNA)
where:
Base-Base interactions energy: -387.895
where: short stacking energy: -173.221
Base-Backbone interact. energy: -0.042
local terms energy: -182.344294
where:
bonds (distance) C4'-P energy: -33.454
bonds (distance) P-C4' energy: -37.326
flat angles C4'-P-C4' energy: -34.460
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -54.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -533.697230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.697230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.697230 (E_RNA)
where:
Base-Base interactions energy: -336.571
where: short stacking energy: -166.845
Base-Backbone interact. energy: -0.012
local terms energy: -197.113670
where:
bonds (distance) C4'-P energy: -35.499
bonds (distance) P-C4' energy: -37.116
flat angles C4'-P-C4' energy: -39.608
flat angles P-C4'-P energy: -24.719
tors. eta vs tors. theta energy: -60.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -503.082226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.082226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.082226 (E_RNA)
where:
Base-Base interactions energy: -340.721
where: short stacking energy: -147.686
Base-Backbone interact. energy: -0.106
local terms energy: -162.254639
where:
bonds (distance) C4'-P energy: -32.606
bonds (distance) P-C4' energy: -36.930
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -42.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -462.389966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.389966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.389966 (E_RNA)
where:
Base-Base interactions energy: -304.453
where: short stacking energy: -131.375
Base-Backbone interact. energy: -0.089
local terms energy: -157.847929
where:
bonds (distance) C4'-P energy: -32.551
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -32.815
flat angles P-C4'-P energy: -24.881
tors. eta vs tors. theta energy: -43.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -447.739214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.739214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.739214 (E_RNA)
where:
Base-Base interactions energy: -297.611
where: short stacking energy: -133.356
Base-Backbone interact. energy: -0.942
local terms energy: -149.186390
where:
bonds (distance) C4'-P energy: -31.644
bonds (distance) P-C4' energy: -33.031
flat angles C4'-P-C4' energy: -27.471
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: -35.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -321.794229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.794229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.794229 (E_RNA)
where:
Base-Base interactions energy: -189.271
where: short stacking energy: -90.385
Base-Backbone interact. energy: -1.298
local terms energy: -131.225848
where:
bonds (distance) C4'-P energy: -28.306
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -29.261
flat angles P-C4'-P energy: -21.995
tors. eta vs tors. theta energy: -20.653
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: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -200.507463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.507463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.507463 (E_RNA)
where:
Base-Base interactions energy: -94.458
where: short stacking energy: -55.463
Base-Backbone interact. energy: -0.502
local terms energy: -105.547419
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -34.676
flat angles C4'-P-C4' energy: -30.151
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: 4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -184.322542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.322542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.322542 (E_RNA)
where:
Base-Base interactions energy: -71.830
where: short stacking energy: -30.764
Base-Backbone interact. energy: -0.900
local terms energy: -111.592154
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -33.292
flat angles C4'-P-C4' energy: -29.955
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -174.708944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.708944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.708944 (E_RNA)
where:
Base-Base interactions energy: -56.300
where: short stacking energy: -36.759
Base-Backbone interact. energy: -1.056
local terms energy: -117.352466
where:
bonds (distance) C4'-P energy: -31.283
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -27.686
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -158.838576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.838576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.838576 (E_RNA)
where:
Base-Base interactions energy: -56.436
where: short stacking energy: -39.335
Base-Backbone interact. energy: -0.346
local terms energy: -102.056871
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -33.956
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -556.769843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.769843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.769843 (E_RNA)
where:
Base-Base interactions energy: -376.429
where: short stacking energy: -174.688
Base-Backbone interact. energy: -0.073
local terms energy: -180.267495
where:
bonds (distance) C4'-P energy: -33.495
bonds (distance) P-C4' energy: -29.234
flat angles C4'-P-C4' energy: -41.220
flat angles P-C4'-P energy: -24.980
tors. eta vs tors. theta energy: -51.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -529.931449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.931449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.931449 (E_RNA)
where:
Base-Base interactions energy: -335.285
where: short stacking energy: -164.435
Base-Backbone interact. energy: -0.846
local terms energy: -193.800966
where:
bonds (distance) C4'-P energy: -35.092
bonds (distance) P-C4' energy: -33.332
flat angles C4'-P-C4' energy: -41.772
flat angles P-C4'-P energy: -27.125
tors. eta vs tors. theta energy: -56.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -506.134721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.134721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.134721 (E_RNA)
where:
Base-Base interactions energy: -332.878
where: short stacking energy: -156.879
Base-Backbone interact. energy: -0.231
local terms energy: -173.025708
where:
bonds (distance) C4'-P energy: -30.422
bonds (distance) P-C4' energy: -29.221
flat angles C4'-P-C4' energy: -38.121
flat angles P-C4'-P energy: -24.269
tors. eta vs tors. theta energy: -50.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -476.071023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.071023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.071023 (E_RNA)
where:
Base-Base interactions energy: -303.734
where: short stacking energy: -131.479
Base-Backbone interact. energy: 0.020
local terms energy: -172.356905
where:
bonds (distance) C4'-P energy: -26.807
bonds (distance) P-C4' energy: -40.352
flat angles C4'-P-C4' energy: -40.654
flat angles P-C4'-P energy: -24.104
tors. eta vs tors. theta energy: -40.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -468.557184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.557184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.557184 (E_RNA)
where:
Base-Base interactions energy: -303.187
where: short stacking energy: -114.664
Base-Backbone interact. energy: -0.101
local terms energy: -165.269856
where:
bonds (distance) C4'-P energy: -32.216
bonds (distance) P-C4' energy: -35.551
flat angles C4'-P-C4' energy: -34.491
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -43.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -323.051080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.051080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.051080 (E_RNA)
where:
Base-Base interactions energy: -200.851
where: short stacking energy: -107.186
Base-Backbone interact. energy: 0.861
local terms energy: -123.060806
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -37.216
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -24.142
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: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -193.109753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.109753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.109753 (E_RNA)
where:
Base-Base interactions energy: -79.337
where: short stacking energy: -66.955
Base-Backbone interact. energy: -1.777
local terms energy: -111.996302
where:
bonds (distance) C4'-P energy: -35.269
bonds (distance) P-C4' energy: -30.772
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -19.184
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: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -196.830172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.830172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.830172 (E_RNA)
where:
Base-Base interactions energy: -98.557
where: short stacking energy: -59.718
Base-Backbone interact. energy: 0.028
local terms energy: -98.300481
where:
bonds (distance) C4'-P energy: -31.644
bonds (distance) P-C4' energy: -28.800
flat angles C4'-P-C4' energy: -25.558
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: 0.943
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: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -166.910301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.910301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.910301 (E_RNA)
where:
Base-Base interactions energy: -34.990
where: short stacking energy: -31.154
Base-Backbone interact. energy: -1.991
local terms energy: -129.928918
where:
bonds (distance) C4'-P energy: -36.205
bonds (distance) P-C4' energy: -35.370
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -22.844
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -157.520670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.520670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.520670 (E_RNA)
where:
Base-Base interactions energy: -62.606
where: short stacking energy: -35.008
Base-Backbone interact. energy: 1.510
local terms energy: -96.423866
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -34.606
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: 1.013
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: 303
Temperature: 0.900000
Total energy: -576.353094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.353094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.353094 (E_RNA)
where:
Base-Base interactions energy: -396.540
where: short stacking energy: -163.929
Base-Backbone interact. energy: -0.679
local terms energy: -179.133455
where:
bonds (distance) C4'-P energy: -35.407
bonds (distance) P-C4' energy: -32.628
flat angles C4'-P-C4' energy: -34.276
flat angles P-C4'-P energy: -31.740
tors. eta vs tors. theta energy: -45.082
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: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -539.555574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.555574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.555574 (E_RNA)
where:
Base-Base interactions energy: -358.710
where: short stacking energy: -163.285
Base-Backbone interact. energy: -0.665
local terms energy: -180.181491
where:
bonds (distance) C4'-P energy: -33.357
bonds (distance) P-C4' energy: -34.061
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -26.445
tors. eta vs tors. theta energy: -52.231
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: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -511.373062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.373062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.373062 (E_RNA)
where:
Base-Base interactions energy: -336.503
where: short stacking energy: -161.176
Base-Backbone interact. energy: -0.090
local terms energy: -174.779763
where:
bonds (distance) C4'-P energy: -34.178
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -37.769
flat angles P-C4'-P energy: -26.404
tors. eta vs tors. theta energy: -51.263
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: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -466.721261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.721261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.721261 (E_RNA)
where:
Base-Base interactions energy: -303.961
where: short stacking energy: -142.693
Base-Backbone interact. energy: -0.541
local terms energy: -162.219281
where:
bonds (distance) C4'-P energy: -33.950
bonds (distance) P-C4' energy: -28.086
flat angles C4'-P-C4' energy: -39.653
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -41.573
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: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -461.588644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.588644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.588644 (E_RNA)
where:
Base-Base interactions energy: -308.024
where: short stacking energy: -113.756
Base-Backbone interact. energy: -1.078
local terms energy: -152.486593
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -37.102
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -36.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -321.932916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.932916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.932916 (E_RNA)
where:
Base-Base interactions energy: -189.836
where: short stacking energy: -90.766
Base-Backbone interact. energy: 1.449
local terms energy: -133.546253
where:
bonds (distance) C4'-P energy: -31.735
bonds (distance) P-C4' energy: -32.596
flat angles C4'-P-C4' energy: -29.899
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -23.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -246.901570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.901570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.901570 (E_RNA)
where:
Base-Base interactions energy: -106.898
where: short stacking energy: -63.854
Base-Backbone interact. energy: -0.936
local terms energy: -139.067168
where:
bonds (distance) C4'-P energy: -32.377
bonds (distance) P-C4' energy: -39.020
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -21.979
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -177.439996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.439996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.439996 (E_RNA)
where:
Base-Base interactions energy: -69.009
where: short stacking energy: -54.734
Base-Backbone interact. energy: -0.193
local terms energy: -108.237666
where:
bonds (distance) C4'-P energy: -30.907
bonds (distance) P-C4' energy: -31.039
flat angles C4'-P-C4' energy: -35.393
flat angles P-C4'-P energy: -8.837
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: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -144.828797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.828797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.828797 (E_RNA)
where:
Base-Base interactions energy: -54.118
where: short stacking energy: -31.800
Base-Backbone interact. energy: -0.809
local terms energy: -89.901820
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -33.270
flat angles C4'-P-C4' energy: -32.878
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: 10.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -179.998861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.998861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.998861 (E_RNA)
where:
Base-Base interactions energy: -70.273
where: short stacking energy: -41.482
Base-Backbone interact. energy: -0.753
local terms energy: -108.972426
where:
bonds (distance) C4'-P energy: -35.457
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -28.443
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: -1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -551.785834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.785834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.785834 (E_RNA)
where:
Base-Base interactions energy: -369.715
where: short stacking energy: -157.039
Base-Backbone interact. energy: -0.024
local terms energy: -182.046612
where:
bonds (distance) C4'-P energy: -34.960
bonds (distance) P-C4' energy: -36.171
flat angles C4'-P-C4' energy: -35.150
flat angles P-C4'-P energy: -23.214
tors. eta vs tors. theta energy: -52.552
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: 2, replica: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -522.645859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.645859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.645859 (E_RNA)
where:
Base-Base interactions energy: -334.141
where: short stacking energy: -154.311
Base-Backbone interact. energy: -2.036
local terms energy: -186.469388
where:
bonds (distance) C4'-P energy: -33.717
bonds (distance) P-C4' energy: -37.006
flat angles C4'-P-C4' energy: -36.028
flat angles P-C4'-P energy: -29.201
tors. eta vs tors. theta energy: -50.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -507.292342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.292342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.292342 (E_RNA)
where:
Base-Base interactions energy: -327.387
where: short stacking energy: -155.612
Base-Backbone interact. energy: -0.085
local terms energy: -179.820002
where:
bonds (distance) C4'-P energy: -31.743
bonds (distance) P-C4' energy: -40.135
flat angles C4'-P-C4' energy: -28.581
flat angles P-C4'-P energy: -27.049
tors. eta vs tors. theta energy: -52.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -462.557895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.557895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.557895 (E_RNA)
where:
Base-Base interactions energy: -299.359
where: short stacking energy: -129.561
Base-Backbone interact. energy: -0.261
local terms energy: -162.938000
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -35.834
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -26.418
tors. eta vs tors. theta energy: -40.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -455.743718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.743718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.743718 (E_RNA)
where:
Base-Base interactions energy: -304.917
where: short stacking energy: -125.870
Base-Backbone interact. energy: -0.145
local terms energy: -150.681798
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -35.446
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -39.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -323.097277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.097277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.097277 (E_RNA)
where:
Base-Base interactions energy: -171.397
where: short stacking energy: -104.511
Base-Backbone interact. energy: -0.063
local terms energy: -151.637979
where:
bonds (distance) C4'-P energy: -31.810
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -36.683
flat angles P-C4'-P energy: -25.934
tors. eta vs tors. theta energy: -25.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -184.144087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.144087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.144087 (E_RNA)
where:
Base-Base interactions energy: -66.074
where: short stacking energy: -48.385
Base-Backbone interact. energy: -1.085
local terms energy: -116.985287
where:
bonds (distance) C4'-P energy: -35.323
bonds (distance) P-C4' energy: -33.270
flat angles C4'-P-C4' energy: -33.789
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: 1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -222.770430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.770430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.770430 (E_RNA)
where:
Base-Base interactions energy: -102.486
where: short stacking energy: -53.404
Base-Backbone interact. energy: -0.717
local terms energy: -119.568098
where:
bonds (distance) C4'-P energy: -37.564
bonds (distance) P-C4' energy: -38.423
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -16.114
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: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -196.805750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.805750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.805750 (E_RNA)
where:
Base-Base interactions energy: -81.653
where: short stacking energy: -59.940
Base-Backbone interact. energy: -0.862
local terms energy: -114.291117
where:
bonds (distance) C4'-P energy: -32.503
bonds (distance) P-C4' energy: -33.160
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -173.175674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.175674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.175674 (E_RNA)
where:
Base-Base interactions energy: -74.164
where: short stacking energy: -47.071
Base-Backbone interact. energy: -0.375
local terms energy: -98.636270
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -25.218
flat angles P-C4'-P energy: -20.110
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -572.517890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.517890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.517890 (E_RNA)
where:
Base-Base interactions energy: -381.767
where: short stacking energy: -164.517
Base-Backbone interact. energy: 0.223
local terms energy: -190.974109
where:
bonds (distance) C4'-P energy: -34.050
bonds (distance) P-C4' energy: -38.503
flat angles C4'-P-C4' energy: -38.587
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: -56.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -518.396501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.396501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.396501 (E_RNA)
where:
Base-Base interactions energy: -333.874
where: short stacking energy: -160.354
Base-Backbone interact. energy: -0.434
local terms energy: -184.088231
where:
bonds (distance) C4'-P energy: -28.560
bonds (distance) P-C4' energy: -36.004
flat angles C4'-P-C4' energy: -39.981
flat angles P-C4'-P energy: -29.966
tors. eta vs tors. theta energy: -49.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -524.117923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.117923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.117923 (E_RNA)
where:
Base-Base interactions energy: -337.215
where: short stacking energy: -166.821
Base-Backbone interact. energy: -0.186
local terms energy: -186.717604
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -38.254
flat angles C4'-P-C4' energy: -37.069
flat angles P-C4'-P energy: -28.544
tors. eta vs tors. theta energy: -55.319
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: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -468.535163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.535163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.535163 (E_RNA)
where:
Base-Base interactions energy: -310.625
where: short stacking energy: -126.606
Base-Backbone interact. energy: -0.979
local terms energy: -156.930987
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -32.331
flat angles P-C4'-P energy: -21.203
tors. eta vs tors. theta energy: -37.744
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: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -421.288742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.288742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.288742 (E_RNA)
where:
Base-Base interactions energy: -257.803
where: short stacking energy: -133.349
Base-Backbone interact. energy: -1.180
local terms energy: -162.306465
where:
bonds (distance) C4'-P energy: -39.477
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -41.674
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: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -298.428058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.428058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.428058 (E_RNA)
where:
Base-Base interactions energy: -165.573
where: short stacking energy: -79.154
Base-Backbone interact. energy: -0.269
local terms energy: -132.585521
where:
bonds (distance) C4'-P energy: -27.142
bonds (distance) P-C4' energy: -37.300
flat angles C4'-P-C4' energy: -33.590
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -218.947536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.947536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.947536 (E_RNA)
where:
Base-Base interactions energy: -94.176
where: short stacking energy: -76.626
Base-Backbone interact. energy: 0.165
local terms energy: -124.936508
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -32.321
flat angles C4'-P-C4' energy: -31.041
flat angles P-C4'-P energy: -22.839
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -199.915094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.915094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.915094 (E_RNA)
where:
Base-Base interactions energy: -94.101
where: short stacking energy: -53.280
Base-Backbone interact. energy: 1.074
local terms energy: -106.888822
where:
bonds (distance) C4'-P energy: -33.411
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -32.851
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -164.545799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.545799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.545799 (E_RNA)
where:
Base-Base interactions energy: -65.047
where: short stacking energy: -26.660
Base-Backbone interact. energy: -1.524
local terms energy: -97.974087
where:
bonds (distance) C4'-P energy: -28.092
bonds (distance) P-C4' energy: -35.790
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: 10.900
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: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -188.632725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.632725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.632725 (E_RNA)
where:
Base-Base interactions energy: -92.546
where: short stacking energy: -55.628
Base-Backbone interact. energy: -0.204
local terms energy: -95.882518
where:
bonds (distance) C4'-P energy: -27.537
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -29.807
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: 3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -561.347987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.347987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.347987 (E_RNA)
where:
Base-Base interactions energy: -367.806
where: short stacking energy: -162.857
Base-Backbone interact. energy: -0.049
local terms energy: -193.493008
where:
bonds (distance) C4'-P energy: -34.604
bonds (distance) P-C4' energy: -36.723
flat angles C4'-P-C4' energy: -40.397
flat angles P-C4'-P energy: -25.103
tors. eta vs tors. theta energy: -56.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -534.381506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.381506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.381506 (E_RNA)
where:
Base-Base interactions energy: -337.879
where: short stacking energy: -168.523
Base-Backbone interact. energy: -0.180
local terms energy: -196.322102
where:
bonds (distance) C4'-P energy: -34.865
bonds (distance) P-C4' energy: -36.123
flat angles C4'-P-C4' energy: -40.727
flat angles P-C4'-P energy: -28.962
tors. eta vs tors. theta energy: -55.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -493.945624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.945624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.945624 (E_RNA)
where:
Base-Base interactions energy: -333.518
where: short stacking energy: -137.008
Base-Backbone interact. energy: -0.562
local terms energy: -159.865075
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -28.874
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -45.002
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: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -518.106090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.106090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.106090 (E_RNA)
where:
Base-Base interactions energy: -327.433
where: short stacking energy: -159.514
Base-Backbone interact. energy: -0.054
local terms energy: -190.619302
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -36.783
flat angles C4'-P-C4' energy: -39.520
flat angles P-C4'-P energy: -24.026
tors. eta vs tors. theta energy: -61.919
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: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -375.329942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.329942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.329942 (E_RNA)
where:
Base-Base interactions energy: -242.667
where: short stacking energy: -102.970
Base-Backbone interact. energy: -0.582
local terms energy: -132.081058
where:
bonds (distance) C4'-P energy: -31.788
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -35.009
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -318.463431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.463431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.463431 (E_RNA)
where:
Base-Base interactions energy: -167.311
where: short stacking energy: -85.022
Base-Backbone interact. energy: -2.345
local terms energy: -148.807513
where:
bonds (distance) C4'-P energy: -33.818
bonds (distance) P-C4' energy: -37.255
flat angles C4'-P-C4' energy: -39.758
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -19.726
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: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -174.946203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.946203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.946203 (E_RNA)
where:
Base-Base interactions energy: -57.002
where: short stacking energy: -39.346
Base-Backbone interact. energy: -1.066
local terms energy: -116.878750
where:
bonds (distance) C4'-P energy: -31.074
bonds (distance) P-C4' energy: -37.011
flat angles C4'-P-C4' energy: -26.699
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -8.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -207.994241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.994241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.994241 (E_RNA)
where:
Base-Base interactions energy: -113.525
where: short stacking energy: -58.315
Base-Backbone interact. energy: -0.021
local terms energy: -94.448478
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -31.640
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: 2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -199.289700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.289700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.289700 (E_RNA)
where:
Base-Base interactions energy: -99.122
where: short stacking energy: -55.952
Base-Backbone interact. energy: -0.283
local terms energy: -99.884296
where:
bonds (distance) C4'-P energy: -30.635
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -24.670
flat angles P-C4'-P energy: -17.404
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: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -147.612214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.612214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.612214 (E_RNA)
where:
Base-Base interactions energy: -43.529
where: short stacking energy: -37.160
Base-Backbone interact. energy: -0.857
local terms energy: -103.226181
where:
bonds (distance) C4'-P energy: -35.675
bonds (distance) P-C4' energy: -30.097
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: 11.038
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: 307
Temperature: 0.900000
Total energy: -573.345398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.345398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.345398 (E_RNA)
where:
Base-Base interactions energy: -389.171
where: short stacking energy: -158.160
Base-Backbone interact. energy: -0.291
local terms energy: -183.883199
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -39.170
flat angles C4'-P-C4' energy: -38.012
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: -49.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -526.245483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.245483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.245483 (E_RNA)
where:
Base-Base interactions energy: -346.134
where: short stacking energy: -150.923
Base-Backbone interact. energy: -0.000
local terms energy: -180.110868
where:
bonds (distance) C4'-P energy: -36.625
bonds (distance) P-C4' energy: -37.493
flat angles C4'-P-C4' energy: -34.866
flat angles P-C4'-P energy: -24.280
tors. eta vs tors. theta energy: -46.847
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: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -518.633172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.633172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.633172 (E_RNA)
where:
Base-Base interactions energy: -356.514
where: short stacking energy: -164.755
Base-Backbone interact. energy: -0.303
local terms energy: -161.815588
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -26.398
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -53.874
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: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -503.955057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.955057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.955057 (E_RNA)
where:
Base-Base interactions energy: -317.179
where: short stacking energy: -164.740
Base-Backbone interact. energy: -0.392
local terms energy: -186.384791
where:
bonds (distance) C4'-P energy: -29.403
bonds (distance) P-C4' energy: -35.019
flat angles C4'-P-C4' energy: -36.098
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -60.932
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: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -415.404598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.404598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.404598 (E_RNA)
where:
Base-Base interactions energy: -265.999
where: short stacking energy: -105.707
Base-Backbone interact. energy: -0.419
local terms energy: -148.986806
where:
bonds (distance) C4'-P energy: -30.442
bonds (distance) P-C4' energy: -30.169
flat angles C4'-P-C4' energy: -33.916
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -26.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -319.659979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.659979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.659979 (E_RNA)
where:
Base-Base interactions energy: -180.598
where: short stacking energy: -74.994
Base-Backbone interact. energy: -1.391
local terms energy: -137.671561
where:
bonds (distance) C4'-P energy: -31.280
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -30.252
flat angles P-C4'-P energy: -27.847
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -210.999060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.999060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.999060 (E_RNA)
where:
Base-Base interactions energy: -95.320
where: short stacking energy: -59.750
Base-Backbone interact. energy: -0.489
local terms energy: -115.190089
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -31.928
flat angles C4'-P-C4' energy: -34.298
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -6.772
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: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -267.269381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.269381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.269381 (E_RNA)
where:
Base-Base interactions energy: -134.527
where: short stacking energy: -80.079
Base-Backbone interact. energy: -0.556
local terms energy: -132.186131
where:
bonds (distance) C4'-P energy: -32.429
bonds (distance) P-C4' energy: -33.702
flat angles C4'-P-C4' energy: -32.104
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -168.023074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.023074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.023074 (E_RNA)
where:
Base-Base interactions energy: -64.906
where: short stacking energy: -46.373
Base-Backbone interact. energy: -1.126
local terms energy: -101.991471
where:
bonds (distance) C4'-P energy: -34.558
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -162.029580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.029580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.029580 (E_RNA)
where:
Base-Base interactions energy: -52.192
where: short stacking energy: -49.732
Base-Backbone interact. energy: -1.724
local terms energy: -108.113322
where:
bonds (distance) C4'-P energy: -29.120
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -9.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -539.633153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.633153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.633153 (E_RNA)
where:
Base-Base interactions energy: -356.356
where: short stacking energy: -153.927
Base-Backbone interact. energy: 0.403
local terms energy: -183.680210
where:
bonds (distance) C4'-P energy: -33.805
bonds (distance) P-C4' energy: -37.959
flat angles C4'-P-C4' energy: -42.247
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: -49.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -555.783886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.783886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.783886 (E_RNA)
where:
Base-Base interactions energy: -369.909
where: short stacking energy: -158.660
Base-Backbone interact. energy: -0.204
local terms energy: -185.670362
where:
bonds (distance) C4'-P energy: -41.436
bonds (distance) P-C4' energy: -27.320
flat angles C4'-P-C4' energy: -40.008
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: -52.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -517.196089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.196089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.196089 (E_RNA)
where:
Base-Base interactions energy: -336.664
where: short stacking energy: -161.228
Base-Backbone interact. energy: -0.075
local terms energy: -180.456956
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -35.891
flat angles C4'-P-C4' energy: -38.982
flat angles P-C4'-P energy: -28.063
tors. eta vs tors. theta energy: -51.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -480.904775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.904775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.904775 (E_RNA)
where:
Base-Base interactions energy: -299.848
where: short stacking energy: -136.674
Base-Backbone interact. energy: -0.127
local terms energy: -180.929492
where:
bonds (distance) C4'-P energy: -31.043
bonds (distance) P-C4' energy: -33.011
flat angles C4'-P-C4' energy: -40.542
flat angles P-C4'-P energy: -25.871
tors. eta vs tors. theta energy: -50.462
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: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -450.311584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.311584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.311584 (E_RNA)
where:
Base-Base interactions energy: -299.999
where: short stacking energy: -128.630
Base-Backbone interact. energy: -1.217
local terms energy: -149.096003
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -25.511
flat angles C4'-P-C4' energy: -36.381
flat angles P-C4'-P energy: -29.358
tors. eta vs tors. theta energy: -31.181
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: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -330.703626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.703626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.703626 (E_RNA)
where:
Base-Base interactions energy: -204.291
where: short stacking energy: -84.454
Base-Backbone interact. energy: -0.505
local terms energy: -125.907914
where:
bonds (distance) C4'-P energy: -28.877
bonds (distance) P-C4' energy: -31.920
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -19.643
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: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -240.922821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.922821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.922821 (E_RNA)
where:
Base-Base interactions energy: -122.902
where: short stacking energy: -68.611
Base-Backbone interact. energy: -0.383
local terms energy: -117.637598
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -30.772
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -21.265
tors. eta vs tors. theta energy: -11.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -227.283572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.283572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.283572 (E_RNA)
where:
Base-Base interactions energy: -107.041
where: short stacking energy: -65.371
Base-Backbone interact. energy: 0.337
local terms energy: -120.580230
where:
bonds (distance) C4'-P energy: -28.684
bonds (distance) P-C4' energy: -31.286
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -10.641
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: 308
Temperature: 1.300000
Total energy: -147.026849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.026849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.026849 (E_RNA)
where:
Base-Base interactions energy: -54.753
where: short stacking energy: -50.187
Base-Backbone interact. energy: 1.305
local terms energy: -93.579673
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -34.999
flat angles C4'-P-C4' energy: -24.125
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: 0.211
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: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -153.070601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.070601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.070601 (E_RNA)
where:
Base-Base interactions energy: -70.003
where: short stacking energy: -45.690
Base-Backbone interact. energy: -0.365
local terms energy: -82.702735
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: 2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -538.232228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.232228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.232228 (E_RNA)
where:
Base-Base interactions energy: -356.202
where: short stacking energy: -152.703
Base-Backbone interact. energy: -0.206
local terms energy: -181.824227
where:
bonds (distance) C4'-P energy: -39.708
bonds (distance) P-C4' energy: -35.560
flat angles C4'-P-C4' energy: -35.414
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -51.559
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: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -559.584110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.584110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.584110 (E_RNA)
where:
Base-Base interactions energy: -368.868
where: short stacking energy: -149.013
Base-Backbone interact. energy: -0.466
local terms energy: -190.249635
where:
bonds (distance) C4'-P energy: -39.774
bonds (distance) P-C4' energy: -36.017
flat angles C4'-P-C4' energy: -38.499
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -52.104
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: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -524.497244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.497244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.497244 (E_RNA)
where:
Base-Base interactions energy: -350.441
where: short stacking energy: -164.327
Base-Backbone interact. energy: -0.115
local terms energy: -173.941207
where:
bonds (distance) C4'-P energy: -27.154
bonds (distance) P-C4' energy: -31.048
flat angles C4'-P-C4' energy: -38.658
flat angles P-C4'-P energy: -24.598
tors. eta vs tors. theta energy: -52.484
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: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -466.235170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.235170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.235170 (E_RNA)
where:
Base-Base interactions energy: -300.980
where: short stacking energy: -125.412
Base-Backbone interact. energy: -1.652
local terms energy: -163.603132
where:
bonds (distance) C4'-P energy: -31.536
bonds (distance) P-C4' energy: -35.139
flat angles C4'-P-C4' energy: -35.160
flat angles P-C4'-P energy: -19.723
tors. eta vs tors. theta energy: -42.045
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: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -444.594343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.594343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.594343 (E_RNA)
where:
Base-Base interactions energy: -296.003
where: short stacking energy: -132.310
Base-Backbone interact. energy: 2.833
local terms energy: -151.424068
where:
bonds (distance) C4'-P energy: -27.296
bonds (distance) P-C4' energy: -28.187
flat angles C4'-P-C4' energy: -32.361
flat angles P-C4'-P energy: -19.702
tors. eta vs tors. theta energy: -43.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -360.191695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.191695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.191695 (E_RNA)
where:
Base-Base interactions energy: -217.826
where: short stacking energy: -114.457
Base-Backbone interact. energy: -0.712
local terms energy: -141.653233
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -28.168
flat angles C4'-P-C4' energy: -38.571
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -28.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -259.072927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.072927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.072927 (E_RNA)
where:
Base-Base interactions energy: -140.049
where: short stacking energy: -77.923
Base-Backbone interact. energy: -0.349
local terms energy: -118.674710
where:
bonds (distance) C4'-P energy: -27.908
bonds (distance) P-C4' energy: -28.128
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: -11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -251.281555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.281555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.281555 (E_RNA)
where:
Base-Base interactions energy: -122.982
where: short stacking energy: -73.025
Base-Backbone interact. energy: 0.608
local terms energy: -128.907548
where:
bonds (distance) C4'-P energy: -31.806
bonds (distance) P-C4' energy: -30.327
flat angles C4'-P-C4' energy: -30.315
flat angles P-C4'-P energy: -24.569
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -156.821671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.821671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.821671 (E_RNA)
where:
Base-Base interactions energy: -49.717
where: short stacking energy: -34.749
Base-Backbone interact. energy: -0.553
local terms energy: -106.551537
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -33.496
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -14.152
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: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -174.116081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.116081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.116081 (E_RNA)
where:
Base-Base interactions energy: -62.423
where: short stacking energy: -39.165
Base-Backbone interact. energy: -0.219
local terms energy: -111.474069
where:
bonds (distance) C4'-P energy: -33.317
bonds (distance) P-C4' energy: -35.161
flat angles C4'-P-C4' energy: -28.946
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: 2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -572.274884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.274884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.274884 (E_RNA)
where:
Base-Base interactions energy: -381.848
where: short stacking energy: -158.904
Base-Backbone interact. energy: -0.101
local terms energy: -190.326023
where:
bonds (distance) C4'-P energy: -35.594
bonds (distance) P-C4' energy: -38.889
flat angles C4'-P-C4' energy: -35.866
flat angles P-C4'-P energy: -26.681
tors. eta vs tors. theta energy: -53.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -535.501715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.501715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.501715 (E_RNA)
where:
Base-Base interactions energy: -360.422
where: short stacking energy: -150.977
Base-Backbone interact. energy: -0.848
local terms energy: -174.231829
where:
bonds (distance) C4'-P energy: -31.805
bonds (distance) P-C4' energy: -34.483
flat angles C4'-P-C4' energy: -34.298
flat angles P-C4'-P energy: -23.344
tors. eta vs tors. theta energy: -50.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -517.898319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.898319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.898319 (E_RNA)
where:
Base-Base interactions energy: -334.232
where: short stacking energy: -153.403
Base-Backbone interact. energy: -0.124
local terms energy: -183.542616
where:
bonds (distance) C4'-P energy: -27.259
bonds (distance) P-C4' energy: -39.038
flat angles C4'-P-C4' energy: -36.478
flat angles P-C4'-P energy: -30.327
tors. eta vs tors. theta energy: -50.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -462.432874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.432874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.432874 (E_RNA)
where:
Base-Base interactions energy: -302.871
where: short stacking energy: -134.351
Base-Backbone interact. energy: -0.282
local terms energy: -159.279524
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -37.343
flat angles C4'-P-C4' energy: -40.879
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -44.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -471.908892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.908892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.908892 (E_RNA)
where:
Base-Base interactions energy: -305.717
where: short stacking energy: -144.501
Base-Backbone interact. energy: -0.091
local terms energy: -166.101435
where:
bonds (distance) C4'-P energy: -29.228
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -36.990
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -53.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -348.338265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.338265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.338265 (E_RNA)
where:
Base-Base interactions energy: -209.636
where: short stacking energy: -113.919
Base-Backbone interact. energy: 0.367
local terms energy: -139.069597
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -35.208
flat angles C4'-P-C4' energy: -36.430
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -25.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -267.758611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.758611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.758611 (E_RNA)
where:
Base-Base interactions energy: -140.962
where: short stacking energy: -64.952
Base-Backbone interact. energy: -1.149
local terms energy: -125.647397
where:
bonds (distance) C4'-P energy: -33.324
bonds (distance) P-C4' energy: -36.290
flat angles C4'-P-C4' energy: -27.225
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -216.523455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.523455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.523455 (E_RNA)
where:
Base-Base interactions energy: -89.610
where: short stacking energy: -60.863
Base-Backbone interact. energy: -0.623
local terms energy: -126.290272
where:
bonds (distance) C4'-P energy: -29.541
bonds (distance) P-C4' energy: -39.285
flat angles C4'-P-C4' energy: -32.433
flat angles P-C4'-P energy: -19.919
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: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -165.261712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.261712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.261712 (E_RNA)
where:
Base-Base interactions energy: -76.756
where: short stacking energy: -44.638
Base-Backbone interact. energy: -1.119
local terms energy: -87.386762
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -29.217
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -20.694
tors. eta vs tors. theta energy: 5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -163.137247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.137247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.137247 (E_RNA)
where:
Base-Base interactions energy: -46.381
where: short stacking energy: -27.907
Base-Backbone interact. energy: 5.841
local terms energy: -122.596428
where:
bonds (distance) C4'-P energy: -41.890
bonds (distance) P-C4' energy: -31.150
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: 3.173
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: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -578.619081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.619081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.619081 (E_RNA)
where:
Base-Base interactions energy: -378.341
where: short stacking energy: -166.398
Base-Backbone interact. energy: -0.102
local terms energy: -200.176310
where:
bonds (distance) C4'-P energy: -34.649
bonds (distance) P-C4' energy: -36.542
flat angles C4'-P-C4' energy: -38.064
flat angles P-C4'-P energy: -30.856
tors. eta vs tors. theta energy: -60.065
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: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -513.753234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.753234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.753234 (E_RNA)
where:
Base-Base interactions energy: -329.927
where: short stacking energy: -152.417
Base-Backbone interact. energy: -0.037
local terms energy: -183.788881
where:
bonds (distance) C4'-P energy: -34.875
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -40.463
flat angles P-C4'-P energy: -29.120
tors. eta vs tors. theta energy: -47.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -522.622756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.622756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.622756 (E_RNA)
where:
Base-Base interactions energy: -363.032
where: short stacking energy: -157.256
Base-Backbone interact. energy: 2.567
local terms energy: -162.157747
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -36.071
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -48.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -480.613479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.613479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.613479 (E_RNA)
where:
Base-Base interactions energy: -310.461
where: short stacking energy: -135.382
Base-Backbone interact. energy: -0.106
local terms energy: -170.045956
where:
bonds (distance) C4'-P energy: -33.321
bonds (distance) P-C4' energy: -35.286
flat angles C4'-P-C4' energy: -36.211
flat angles P-C4'-P energy: -19.967
tors. eta vs tors. theta energy: -45.261
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: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -456.815617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.815617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.815617 (E_RNA)
where:
Base-Base interactions energy: -287.568
where: short stacking energy: -125.139
Base-Backbone interact. energy: 0.170
local terms energy: -169.418114
where:
bonds (distance) C4'-P energy: -34.548
bonds (distance) P-C4' energy: -36.618
flat angles C4'-P-C4' energy: -37.341
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -41.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -347.930938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.930938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.930938 (E_RNA)
where:
Base-Base interactions energy: -207.578
where: short stacking energy: -89.109
Base-Backbone interact. energy: -0.167
local terms energy: -140.185625
where:
bonds (distance) C4'-P energy: -33.265
bonds (distance) P-C4' energy: -34.403
flat angles C4'-P-C4' energy: -30.245
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -215.421482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.421482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.421482 (E_RNA)
where:
Base-Base interactions energy: -100.726
where: short stacking energy: -60.448
Base-Backbone interact. energy: -0.072
local terms energy: -114.624119
where:
bonds (distance) C4'-P energy: -28.346
bonds (distance) P-C4' energy: -38.237
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -228.336076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.336076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.336076 (E_RNA)
where:
Base-Base interactions energy: -101.864
where: short stacking energy: -64.170
Base-Backbone interact. energy: -0.350
local terms energy: -126.121177
where:
bonds (distance) C4'-P energy: -28.064
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -18.786
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: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -174.173487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.173487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.173487 (E_RNA)
where:
Base-Base interactions energy: -63.043
where: short stacking energy: -41.260
Base-Backbone interact. energy: -1.010
local terms energy: -110.121114
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -33.172
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -155.523652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.523652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.523652 (E_RNA)
where:
Base-Base interactions energy: -64.640
where: short stacking energy: -37.126
Base-Backbone interact. energy: -0.295
local terms energy: -90.588140
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -30.601
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -566.655479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.655479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.655479 (E_RNA)
where:
Base-Base interactions energy: -373.594
where: short stacking energy: -166.841
Base-Backbone interact. energy: -0.158
local terms energy: -192.904369
where:
bonds (distance) C4'-P energy: -34.115
bonds (distance) P-C4' energy: -38.343
flat angles C4'-P-C4' energy: -41.215
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -56.414
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: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -505.664832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.664832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.664832 (E_RNA)
where:
Base-Base interactions energy: -348.199
where: short stacking energy: -145.377
Base-Backbone interact. energy: -0.120
local terms energy: -157.345764
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -29.851
flat angles C4'-P-C4' energy: -34.757
flat angles P-C4'-P energy: -20.954
tors. eta vs tors. theta energy: -43.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -491.516779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.516779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.516779 (E_RNA)
where:
Base-Base interactions energy: -326.283
where: short stacking energy: -155.042
Base-Backbone interact. energy: -2.105
local terms energy: -163.128789
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -37.567
flat angles C4'-P-C4' energy: -32.834
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: -44.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -468.143482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.143482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.143482 (E_RNA)
where:
Base-Base interactions energy: -299.878
where: short stacking energy: -137.143
Base-Backbone interact. energy: -0.148
local terms energy: -168.117910
where:
bonds (distance) C4'-P energy: -33.125
bonds (distance) P-C4' energy: -33.655
flat angles C4'-P-C4' energy: -36.421
flat angles P-C4'-P energy: -27.369
tors. eta vs tors. theta energy: -37.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -458.110865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.110865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.110865 (E_RNA)
where:
Base-Base interactions energy: -300.268
where: short stacking energy: -124.167
Base-Backbone interact. energy: -0.288
local terms energy: -157.554776
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -37.482
flat angles C4'-P-C4' energy: -31.497
flat angles P-C4'-P energy: -24.298
tors. eta vs tors. theta energy: -34.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -328.510484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.510484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.510484 (E_RNA)
where:
Base-Base interactions energy: -186.977
where: short stacking energy: -80.453
Base-Backbone interact. energy: -1.083
local terms energy: -140.451225
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -38.381
flat angles C4'-P-C4' energy: -32.922
flat angles P-C4'-P energy: -26.925
tors. eta vs tors. theta energy: -24.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -185.204542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.204542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.204542 (E_RNA)
where:
Base-Base interactions energy: -64.910
where: short stacking energy: -28.760
Base-Backbone interact. energy: -0.479
local terms energy: -119.816287
where:
bonds (distance) C4'-P energy: -36.217
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -267.309978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.309978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.309978 (E_RNA)
where:
Base-Base interactions energy: -154.829
where: short stacking energy: -69.676
Base-Backbone interact. energy: 2.505
local terms energy: -114.985547
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -26.978
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -7.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -172.836051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.836051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.836051 (E_RNA)
where:
Base-Base interactions energy: -75.617
where: short stacking energy: -51.608
Base-Backbone interact. energy: 0.498
local terms energy: -97.716378
where:
bonds (distance) C4'-P energy: -24.911
bonds (distance) P-C4' energy: -36.030
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -157.099820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.099820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.099820 (E_RNA)
where:
Base-Base interactions energy: -47.243
where: short stacking energy: -40.580
Base-Backbone interact. energy: -1.541
local terms energy: -108.315466
where:
bonds (distance) C4'-P energy: -32.032
bonds (distance) P-C4' energy: -32.124
flat angles C4'-P-C4' energy: -26.042
flat angles P-C4'-P energy: -19.678
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: 313
Temperature: 0.900000
Total energy: -538.486497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.486497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.486497 (E_RNA)
where:
Base-Base interactions energy: -354.976
where: short stacking energy: -143.936
Base-Backbone interact. energy: -0.346
local terms energy: -183.165215
where:
bonds (distance) C4'-P energy: -33.727
bonds (distance) P-C4' energy: -37.018
flat angles C4'-P-C4' energy: -33.096
flat angles P-C4'-P energy: -30.333
tors. eta vs tors. theta energy: -48.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -503.456013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.456013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.456013 (E_RNA)
where:
Base-Base interactions energy: -326.463
where: short stacking energy: -144.644
Base-Backbone interact. energy: -0.339
local terms energy: -176.653859
where:
bonds (distance) C4'-P energy: -34.927
bonds (distance) P-C4' energy: -38.757
flat angles C4'-P-C4' energy: -35.911
flat angles P-C4'-P energy: -23.694
tors. eta vs tors. theta energy: -43.364
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: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -514.132769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.132769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.132769 (E_RNA)
where:
Base-Base interactions energy: -338.107
where: short stacking energy: -124.080
Base-Backbone interact. energy: -1.662
local terms energy: -174.364104
where:
bonds (distance) C4'-P energy: -37.431
bonds (distance) P-C4' energy: -35.804
flat angles C4'-P-C4' energy: -36.810
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -41.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -495.960099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.960099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.960099 (E_RNA)
where:
Base-Base interactions energy: -340.920
where: short stacking energy: -141.241
Base-Backbone interact. energy: -1.522
local terms energy: -153.518943
where:
bonds (distance) C4'-P energy: -27.315
bonds (distance) P-C4' energy: -30.381
flat angles C4'-P-C4' energy: -33.917
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -39.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -434.153655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.153655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.153655 (E_RNA)
where:
Base-Base interactions energy: -275.144
where: short stacking energy: -128.087
Base-Backbone interact. energy: -0.870
local terms energy: -158.140025
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -30.975
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -26.741
tors. eta vs tors. theta energy: -43.020
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: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -323.784206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.784206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.784206 (E_RNA)
where:
Base-Base interactions energy: -191.195
where: short stacking energy: -93.069
Base-Backbone interact. energy: -0.414
local terms energy: -132.175766
where:
bonds (distance) C4'-P energy: -37.050
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -169.516173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.516173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.516173 (E_RNA)
where:
Base-Base interactions energy: -58.378
where: short stacking energy: -52.239
Base-Backbone interact. energy: -1.167
local terms energy: -109.970684
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -29.736
flat angles C4'-P-C4' energy: -35.499
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -174.709859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.709859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.709859 (E_RNA)
where:
Base-Base interactions energy: -59.601
where: short stacking energy: -45.240
Base-Backbone interact. energy: -0.867
local terms energy: -114.241729
where:
bonds (distance) C4'-P energy: -39.126
bonds (distance) P-C4' energy: -30.485
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -239.244006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.244006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.244006 (E_RNA)
where:
Base-Base interactions energy: -128.797
where: short stacking energy: -59.949
Base-Backbone interact. energy: 0.328
local terms energy: -110.775319
where:
bonds (distance) C4'-P energy: -31.535
bonds (distance) P-C4' energy: -26.620
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -23.918
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: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -167.126263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.126263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.126263 (E_RNA)
where:
Base-Base interactions energy: -54.290
where: short stacking energy: -45.720
Base-Backbone interact. energy: 0.096
local terms energy: -112.932607
where:
bonds (distance) C4'-P energy: -32.712
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -32.295
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -548.720573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.720573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.720573 (E_RNA)
where:
Base-Base interactions energy: -365.627
where: short stacking energy: -150.347
Base-Backbone interact. energy: -0.647
local terms energy: -182.446601
where:
bonds (distance) C4'-P energy: -38.528
bonds (distance) P-C4' energy: -34.093
flat angles C4'-P-C4' energy: -34.956
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -49.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -520.185939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.185939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.185939 (E_RNA)
where:
Base-Base interactions energy: -341.515
where: short stacking energy: -160.173
Base-Backbone interact. energy: -0.114
local terms energy: -178.557282
where:
bonds (distance) C4'-P energy: -35.022
bonds (distance) P-C4' energy: -40.482
flat angles C4'-P-C4' energy: -32.488
flat angles P-C4'-P energy: -26.661
tors. eta vs tors. theta energy: -43.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -522.355277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.355277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.355277 (E_RNA)
where:
Base-Base interactions energy: -368.397
where: short stacking energy: -137.454
Base-Backbone interact. energy: -1.716
local terms energy: -152.241847
where:
bonds (distance) C4'-P energy: -33.212
bonds (distance) P-C4' energy: -37.779
flat angles C4'-P-C4' energy: -33.823
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -30.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -481.761605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.761605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.761605 (E_RNA)
where:
Base-Base interactions energy: -313.967
where: short stacking energy: -133.653
Base-Backbone interact. energy: -1.712
local terms energy: -166.082597
where:
bonds (distance) C4'-P energy: -26.295
bonds (distance) P-C4' energy: -39.934
flat angles C4'-P-C4' energy: -37.371
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -42.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -422.340446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.340446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.340446 (E_RNA)
where:
Base-Base interactions energy: -263.620
where: short stacking energy: -124.814
Base-Backbone interact. energy: -0.024
local terms energy: -158.696150
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -30.771
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -44.252
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: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -323.188793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.188793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.188793 (E_RNA)
where:
Base-Base interactions energy: -198.681
where: short stacking energy: -91.459
Base-Backbone interact. energy: -1.114
local terms energy: -123.393711
where:
bonds (distance) C4'-P energy: -25.341
bonds (distance) P-C4' energy: -36.398
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -194.575580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.575580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.575580 (E_RNA)
where:
Base-Base interactions energy: -67.066
where: short stacking energy: -53.090
Base-Backbone interact. energy: -1.400
local terms energy: -126.109548
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -10.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -230.392416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.392416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.392416 (E_RNA)
where:
Base-Base interactions energy: -113.331
where: short stacking energy: -56.853
Base-Backbone interact. energy: -0.200
local terms energy: -116.861478
where:
bonds (distance) C4'-P energy: -34.425
bonds (distance) P-C4' energy: -30.963
flat angles C4'-P-C4' energy: -27.680
flat angles P-C4'-P energy: -19.788
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -252.709387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.709387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.709387 (E_RNA)
where:
Base-Base interactions energy: -136.077
where: short stacking energy: -73.874
Base-Backbone interact. energy: -1.954
local terms energy: -114.677917
where:
bonds (distance) C4'-P energy: -32.230
bonds (distance) P-C4' energy: -39.753
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -11.226
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: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -153.660238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.660238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.660238 (E_RNA)
where:
Base-Base interactions energy: -50.879
where: short stacking energy: -33.102
Base-Backbone interact. energy: 0.813
local terms energy: -103.594219
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -38.580
flat angles C4'-P-C4' energy: -30.759
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: 7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -539.812969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.812969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.812969 (E_RNA)
where:
Base-Base interactions energy: -342.533
where: short stacking energy: -141.754
Base-Backbone interact. energy: -0.148
local terms energy: -197.132432
where:
bonds (distance) C4'-P energy: -38.497
bonds (distance) P-C4' energy: -37.735
flat angles C4'-P-C4' energy: -39.694
flat angles P-C4'-P energy: -27.244
tors. eta vs tors. theta energy: -53.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -541.720702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.720702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.720702 (E_RNA)
where:
Base-Base interactions energy: -374.417
where: short stacking energy: -142.312
Base-Backbone interact. energy: 1.236
local terms energy: -168.539758
where:
bonds (distance) C4'-P energy: -38.998
bonds (distance) P-C4' energy: -35.590
flat angles C4'-P-C4' energy: -36.513
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -40.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -497.419618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.419618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.419618 (E_RNA)
where:
Base-Base interactions energy: -321.650
where: short stacking energy: -145.632
Base-Backbone interact. energy: -0.408
local terms energy: -175.361777
where:
bonds (distance) C4'-P energy: -33.530
bonds (distance) P-C4' energy: -33.191
flat angles C4'-P-C4' energy: -34.905
flat angles P-C4'-P energy: -28.122
tors. eta vs tors. theta energy: -45.615
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: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -501.757113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.757113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.757113 (E_RNA)
where:
Base-Base interactions energy: -340.062
where: short stacking energy: -143.711
Base-Backbone interact. energy: -2.269
local terms energy: -159.425837
where:
bonds (distance) C4'-P energy: -32.553
bonds (distance) P-C4' energy: -26.655
flat angles C4'-P-C4' energy: -33.433
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -43.020
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: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -386.939160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.939160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.939160 (E_RNA)
where:
Base-Base interactions energy: -239.183
where: short stacking energy: -120.783
Base-Backbone interact. energy: 2.347
local terms energy: -150.103308
where:
bonds (distance) C4'-P energy: -33.539
bonds (distance) P-C4' energy: -31.763
flat angles C4'-P-C4' energy: -31.558
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -36.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -331.945091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.945091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.945091 (E_RNA)
where:
Base-Base interactions energy: -189.495
where: short stacking energy: -83.360
Base-Backbone interact. energy: -0.442
local terms energy: -142.008971
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -32.259
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -27.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -188.470837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.470837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.470837 (E_RNA)
where:
Base-Base interactions energy: -76.989
where: short stacking energy: -54.476
Base-Backbone interact. energy: -1.379
local terms energy: -110.103365
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -31.752
flat angles C4'-P-C4' energy: -31.925
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -240.963858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.963858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.963858 (E_RNA)
where:
Base-Base interactions energy: -127.680
where: short stacking energy: -71.416
Base-Backbone interact. energy: -1.445
local terms energy: -111.838546
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -37.180
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -197.643528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.643528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.643528 (E_RNA)
where:
Base-Base interactions energy: -97.330
where: short stacking energy: -51.037
Base-Backbone interact. energy: 1.448
local terms energy: -101.762327
where:
bonds (distance) C4'-P energy: -26.168
bonds (distance) P-C4' energy: -30.281
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -19.981
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: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -149.327258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.327258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.327258 (E_RNA)
where:
Base-Base interactions energy: -46.032
where: short stacking energy: -43.098
Base-Backbone interact. energy: 1.713
local terms energy: -105.007582
where:
bonds (distance) C4'-P energy: -29.268
bonds (distance) P-C4' energy: -35.814
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -20.741
tors. eta vs tors. theta energy: 6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -564.390797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.390797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.390797 (E_RNA)
where:
Base-Base interactions energy: -382.646
where: short stacking energy: -153.249
Base-Backbone interact. energy: -0.424
local terms energy: -181.320187
where:
bonds (distance) C4'-P energy: -32.527
bonds (distance) P-C4' energy: -35.395
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -25.929
tors. eta vs tors. theta energy: -50.426
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: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -528.377488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.377488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.377488 (E_RNA)
where:
Base-Base interactions energy: -371.621
where: short stacking energy: -127.627
Base-Backbone interact. energy: 2.754
local terms energy: -159.510958
where:
bonds (distance) C4'-P energy: -31.076
bonds (distance) P-C4' energy: -35.461
flat angles C4'-P-C4' energy: -37.328
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -40.147
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: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -520.750676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.750676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.750676 (E_RNA)
where:
Base-Base interactions energy: -330.584
where: short stacking energy: -155.796
Base-Backbone interact. energy: -0.120
local terms energy: -190.046385
where:
bonds (distance) C4'-P energy: -40.355
bonds (distance) P-C4' energy: -30.030
flat angles C4'-P-C4' energy: -40.884
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: -51.336
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: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -489.694090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.694090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.694090 (E_RNA)
where:
Base-Base interactions energy: -314.598
where: short stacking energy: -136.581
Base-Backbone interact. energy: -1.251
local terms energy: -173.844603
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -34.869
flat angles C4'-P-C4' energy: -38.828
flat angles P-C4'-P energy: -28.867
tors. eta vs tors. theta energy: -37.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -366.042155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.042155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.042155 (E_RNA)
where:
Base-Base interactions energy: -219.493
where: short stacking energy: -94.796
Base-Backbone interact. energy: -0.833
local terms energy: -145.716706
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -31.737
flat angles C4'-P-C4' energy: -35.094
flat angles P-C4'-P energy: -26.694
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: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -416.129950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.129950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.129950 (E_RNA)
where:
Base-Base interactions energy: -249.482
where: short stacking energy: -122.518
Base-Backbone interact. energy: 1.431
local terms energy: -168.079511
where:
bonds (distance) C4'-P energy: -35.608
bonds (distance) P-C4' energy: -37.630
flat angles C4'-P-C4' energy: -30.025
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: -41.861
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: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -266.503869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.503869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.503869 (E_RNA)
where:
Base-Base interactions energy: -139.215
where: short stacking energy: -81.636
Base-Backbone interact. energy: -0.643
local terms energy: -126.645982
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -34.444
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -163.500981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.500981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.500981 (E_RNA)
where:
Base-Base interactions energy: -55.918
where: short stacking energy: -44.239
Base-Backbone interact. energy: 1.508
local terms energy: -109.091243
where:
bonds (distance) C4'-P energy: -25.128
bonds (distance) P-C4' energy: -31.047
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -167.294849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.294849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.294849 (E_RNA)
where:
Base-Base interactions energy: -45.871
where: short stacking energy: -36.666
Base-Backbone interact. energy: -1.792
local terms energy: -119.631865
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -37.910
flat angles C4'-P-C4' energy: -33.752
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: 2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -155.616242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.616242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.616242 (E_RNA)
where:
Base-Base interactions energy: -64.054
where: short stacking energy: -47.525
Base-Backbone interact. energy: 0.367
local terms energy: -91.929345
where:
bonds (distance) C4'-P energy: -33.632
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: 3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -570.966153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.966153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.966153 (E_RNA)
where:
Base-Base interactions energy: -393.891
where: short stacking energy: -167.652
Base-Backbone interact. energy: -0.097
local terms energy: -176.977740
where:
bonds (distance) C4'-P energy: -37.258
bonds (distance) P-C4' energy: -33.503
flat angles C4'-P-C4' energy: -32.644
flat angles P-C4'-P energy: -21.597
tors. eta vs tors. theta energy: -51.977
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: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -555.127600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.127600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.127600 (E_RNA)
where:
Base-Base interactions energy: -385.280
where: short stacking energy: -149.534
Base-Backbone interact. energy: -1.625
local terms energy: -168.222666
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -30.994
flat angles C4'-P-C4' energy: -36.068
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -45.530
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: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -534.463603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.463603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.463603 (E_RNA)
where:
Base-Base interactions energy: -351.803
where: short stacking energy: -167.482
Base-Backbone interact. energy: -0.349
local terms energy: -182.311727
where:
bonds (distance) C4'-P energy: -30.459
bonds (distance) P-C4' energy: -31.354
flat angles C4'-P-C4' energy: -32.364
flat angles P-C4'-P energy: -30.263
tors. eta vs tors. theta energy: -57.871
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: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -478.408579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.408579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.408579 (E_RNA)
where:
Base-Base interactions energy: -332.951
where: short stacking energy: -123.176
Base-Backbone interact. energy: -0.350
local terms energy: -145.107976
where:
bonds (distance) C4'-P energy: -31.805
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -38.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -335.587222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.587222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.587222 (E_RNA)
where:
Base-Base interactions energy: -194.055
where: short stacking energy: -87.691
Base-Backbone interact. energy: -1.075
local terms energy: -140.458074
where:
bonds (distance) C4'-P energy: -38.232
bonds (distance) P-C4' energy: -30.685
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -419.165175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.165175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.165175 (E_RNA)
where:
Base-Base interactions energy: -258.845
where: short stacking energy: -128.415
Base-Backbone interact. energy: -0.185
local terms energy: -160.135175
where:
bonds (distance) C4'-P energy: -34.222
bonds (distance) P-C4' energy: -34.109
flat angles C4'-P-C4' energy: -33.824
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -36.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -264.958063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.958063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.958063 (E_RNA)
where:
Base-Base interactions energy: -151.547
where: short stacking energy: -67.013
Base-Backbone interact. energy: 0.382
local terms energy: -113.792961
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -28.231
flat angles C4'-P-C4' energy: -34.792
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -199.895514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.895514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.895514 (E_RNA)
where:
Base-Base interactions energy: -90.504
where: short stacking energy: -47.239
Base-Backbone interact. energy: -0.753
local terms energy: -108.638375
where:
bonds (distance) C4'-P energy: -34.796
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -30.731
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -161.695677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.695677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.695677 (E_RNA)
where:
Base-Base interactions energy: -42.739
where: short stacking energy: -37.210
Base-Backbone interact. energy: -0.637
local terms energy: -118.319477
where:
bonds (distance) C4'-P energy: -27.640
bonds (distance) P-C4' energy: -40.512
flat angles C4'-P-C4' energy: -26.349
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -1.717
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: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -150.582617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.582617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.582617 (E_RNA)
where:
Base-Base interactions energy: -51.520
where: short stacking energy: -31.151
Base-Backbone interact. energy: -0.561
local terms energy: -98.501635
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: 6.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -576.212681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.212681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.212681 (E_RNA)
where:
Base-Base interactions energy: -388.133
where: short stacking energy: -162.728
Base-Backbone interact. energy: -0.034
local terms energy: -188.044760
where:
bonds (distance) C4'-P energy: -32.636
bonds (distance) P-C4' energy: -35.680
flat angles C4'-P-C4' energy: -42.636
flat angles P-C4'-P energy: -24.884
tors. eta vs tors. theta energy: -52.209
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: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -546.440543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.440543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.440543 (E_RNA)
where:
Base-Base interactions energy: -372.831
where: short stacking energy: -140.707
Base-Backbone interact. energy: -1.194
local terms energy: -172.415014
where:
bonds (distance) C4'-P energy: -33.876
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -39.682
flat angles P-C4'-P energy: -21.976
tors. eta vs tors. theta energy: -46.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -514.287968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.287968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.287968 (E_RNA)
where:
Base-Base interactions energy: -351.925
where: short stacking energy: -141.494
Base-Backbone interact. energy: -0.797
local terms energy: -161.566498
where:
bonds (distance) C4'-P energy: -27.343
bonds (distance) P-C4' energy: -30.687
flat angles C4'-P-C4' energy: -36.771
flat angles P-C4'-P energy: -26.943
tors. eta vs tors. theta energy: -39.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -491.067391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.067391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.067391 (E_RNA)
where:
Base-Base interactions energy: -321.046
where: short stacking energy: -152.340
Base-Backbone interact. energy: -0.330
local terms energy: -169.691756
where:
bonds (distance) C4'-P energy: -33.914
bonds (distance) P-C4' energy: -31.162
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -50.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -443.801760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.801760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.801760 (E_RNA)
where:
Base-Base interactions energy: -279.679
where: short stacking energy: -132.807
Base-Backbone interact. energy: -0.029
local terms energy: -164.093648
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -29.231
flat angles C4'-P-C4' energy: -31.790
flat angles P-C4'-P energy: -26.530
tors. eta vs tors. theta energy: -44.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -346.556958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.556958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.556958 (E_RNA)
where:
Base-Base interactions energy: -221.510
where: short stacking energy: -102.357
Base-Backbone interact. energy: -1.266
local terms energy: -123.780830
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -34.961
flat angles C4'-P-C4' energy: -26.346
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -274.237243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.237243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.237243 (E_RNA)
where:
Base-Base interactions energy: -155.011
where: short stacking energy: -89.393
Base-Backbone interact. energy: -0.352
local terms energy: -118.874305
where:
bonds (distance) C4'-P energy: -37.391
bonds (distance) P-C4' energy: -27.038
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -180.532072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.532072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.532072 (E_RNA)
where:
Base-Base interactions energy: -79.769
where: short stacking energy: -53.544
Base-Backbone interact. energy: 2.431
local terms energy: -103.194613
where:
bonds (distance) C4'-P energy: -24.220
bonds (distance) P-C4' energy: -36.014
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -18.598
tors. eta vs tors. theta energy: -1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -162.838513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.838513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.838513 (E_RNA)
where:
Base-Base interactions energy: -57.976
where: short stacking energy: -46.135
Base-Backbone interact. energy: -0.894
local terms energy: -103.969308
where:
bonds (distance) C4'-P energy: -30.783
bonds (distance) P-C4' energy: -31.570
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: 0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -157.651784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.651784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.651784 (E_RNA)
where:
Base-Base interactions energy: -54.897
where: short stacking energy: -48.706
Base-Backbone interact. energy: -0.614
local terms energy: -102.141411
where:
bonds (distance) C4'-P energy: -33.686
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -568.845141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.845141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.845141 (E_RNA)
where:
Base-Base interactions energy: -382.080
where: short stacking energy: -167.345
Base-Backbone interact. energy: -0.014
local terms energy: -186.751198
where:
bonds (distance) C4'-P energy: -31.359
bonds (distance) P-C4' energy: -40.691
flat angles C4'-P-C4' energy: -36.080
flat angles P-C4'-P energy: -25.535
tors. eta vs tors. theta energy: -53.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -556.901146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.901146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.901146 (E_RNA)
where:
Base-Base interactions energy: -385.390
where: short stacking energy: -131.388
Base-Backbone interact. energy: 0.416
local terms energy: -171.927093
where:
bonds (distance) C4'-P energy: -38.098
bonds (distance) P-C4' energy: -36.063
flat angles C4'-P-C4' energy: -33.158
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -43.469
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: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -495.862665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.862665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.862665 (E_RNA)
where:
Base-Base interactions energy: -324.305
where: short stacking energy: -134.050
Base-Backbone interact. energy: -0.980
local terms energy: -170.577289
where:
bonds (distance) C4'-P energy: -33.278
bonds (distance) P-C4' energy: -33.006
flat angles C4'-P-C4' energy: -41.241
flat angles P-C4'-P energy: -23.414
tors. eta vs tors. theta energy: -39.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -483.712478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.712478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.712478 (E_RNA)
where:
Base-Base interactions energy: -313.090
where: short stacking energy: -150.182
Base-Backbone interact. energy: 0.156
local terms energy: -170.778695
where:
bonds (distance) C4'-P energy: -36.032
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -45.781
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: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -465.668422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.668422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.668422 (E_RNA)
where:
Base-Base interactions energy: -295.998
where: short stacking energy: -144.016
Base-Backbone interact. energy: -0.588
local terms energy: -169.081883
where:
bonds (distance) C4'-P energy: -28.281
bonds (distance) P-C4' energy: -36.951
flat angles C4'-P-C4' energy: -34.252
flat angles P-C4'-P energy: -27.361
tors. eta vs tors. theta energy: -42.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -299.725843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.725843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.725843 (E_RNA)
where:
Base-Base interactions energy: -171.896
where: short stacking energy: -95.935
Base-Backbone interact. energy: 0.429
local terms energy: -128.258560
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -35.597
flat angles C4'-P-C4' energy: -27.961
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -332.212660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.212660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.212660 (E_RNA)
where:
Base-Base interactions energy: -189.930
where: short stacking energy: -79.129
Base-Backbone interact. energy: -1.013
local terms energy: -141.269834
where:
bonds (distance) C4'-P energy: -33.415
bonds (distance) P-C4' energy: -35.282
flat angles C4'-P-C4' energy: -30.174
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -200.034756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.034756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.034756 (E_RNA)
where:
Base-Base interactions energy: -95.688
where: short stacking energy: -51.497
Base-Backbone interact. energy: 0.018
local terms energy: -104.364803
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -39.290
flat angles C4'-P-C4' energy: -30.402
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: 10.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -170.215062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.215062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.215062 (E_RNA)
where:
Base-Base interactions energy: -56.909
where: short stacking energy: -44.158
Base-Backbone interact. energy: -0.109
local terms energy: -113.196715
where:
bonds (distance) C4'-P energy: -37.378
bonds (distance) P-C4' energy: -36.448
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -2.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -149.861500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.861500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.861500 (E_RNA)
where:
Base-Base interactions energy: -69.361
where: short stacking energy: -47.694
Base-Backbone interact. energy: -0.261
local terms energy: -80.239360
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: 7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -567.581105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.581105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.581105 (E_RNA)
where:
Base-Base interactions energy: -379.240
where: short stacking energy: -169.761
Base-Backbone interact. energy: -0.026
local terms energy: -188.314677
where:
bonds (distance) C4'-P energy: -33.894
bonds (distance) P-C4' energy: -36.643
flat angles C4'-P-C4' energy: -42.443
flat angles P-C4'-P energy: -21.812
tors. eta vs tors. theta energy: -53.523
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: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -546.724617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.724617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.724617 (E_RNA)
where:
Base-Base interactions energy: -378.153
where: short stacking energy: -152.645
Base-Backbone interact. energy: -1.381
local terms energy: -167.191537
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -37.663
flat angles C4'-P-C4' energy: -38.367
flat angles P-C4'-P energy: -20.577
tors. eta vs tors. theta energy: -45.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -500.579373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.579373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.579373 (E_RNA)
where:
Base-Base interactions energy: -344.772
where: short stacking energy: -129.441
Base-Backbone interact. energy: -0.432
local terms energy: -155.375405
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -30.743
flat angles C4'-P-C4' energy: -32.647
flat angles P-C4'-P energy: -28.227
tors. eta vs tors. theta energy: -37.616
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: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -489.416904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.416904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.416904 (E_RNA)
where:
Base-Base interactions energy: -302.688
where: short stacking energy: -135.582
Base-Backbone interact. energy: -0.565
local terms energy: -186.164407
where:
bonds (distance) C4'-P energy: -38.099
bonds (distance) P-C4' energy: -38.387
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -22.286
tors. eta vs tors. theta energy: -51.538
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: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -445.381814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.381814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.381814 (E_RNA)
where:
Base-Base interactions energy: -287.163
where: short stacking energy: -125.238
Base-Backbone interact. energy: -0.251
local terms energy: -157.967224
where:
bonds (distance) C4'-P energy: -33.486
bonds (distance) P-C4' energy: -32.091
flat angles C4'-P-C4' energy: -28.612
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -41.654
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: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -288.312080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.312080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.312080 (E_RNA)
where:
Base-Base interactions energy: -148.290
where: short stacking energy: -70.838
Base-Backbone interact. energy: -0.574
local terms energy: -139.447477
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -40.270
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -321.483631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.483631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.483631 (E_RNA)
where:
Base-Base interactions energy: -180.895
where: short stacking energy: -82.885
Base-Backbone interact. energy: -0.492
local terms energy: -140.096552
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -31.230
flat angles C4'-P-C4' energy: -30.209
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -24.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -174.627366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.627366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.627366 (E_RNA)
where:
Base-Base interactions energy: -73.314
where: short stacking energy: -50.646
Base-Backbone interact. energy: -0.542
local terms energy: -100.771549
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -37.006
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -156.891062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.891062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.891062 (E_RNA)
where:
Base-Base interactions energy: -56.315
where: short stacking energy: -38.012
Base-Backbone interact. energy: -0.942
local terms energy: -99.634334
where:
bonds (distance) C4'-P energy: -25.205
bonds (distance) P-C4' energy: -30.444
flat angles C4'-P-C4' energy: -26.106
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -157.602988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.602988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.602988 (E_RNA)
where:
Base-Base interactions energy: -60.633
where: short stacking energy: -55.311
Base-Backbone interact. energy: 0.539
local terms energy: -97.508816
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -37.592
flat angles C4'-P-C4' energy: -27.886
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -559.403720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.403720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.403720 (E_RNA)
where:
Base-Base interactions energy: -363.957
where: short stacking energy: -153.436
Base-Backbone interact. energy: -0.748
local terms energy: -194.699120
where:
bonds (distance) C4'-P energy: -34.468
bonds (distance) P-C4' energy: -36.977
flat angles C4'-P-C4' energy: -44.860
flat angles P-C4'-P energy: -27.398
tors. eta vs tors. theta energy: -50.995
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: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -506.996975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.996975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.996975 (E_RNA)
where:
Base-Base interactions energy: -341.907
where: short stacking energy: -146.136
Base-Backbone interact. energy: -2.710
local terms energy: -162.379700
where:
bonds (distance) C4'-P energy: -33.663
bonds (distance) P-C4' energy: -29.072
flat angles C4'-P-C4' energy: -34.537
flat angles P-C4'-P energy: -26.534
tors. eta vs tors. theta energy: -38.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -514.488989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.488989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.488989 (E_RNA)
where:
Base-Base interactions energy: -358.458
where: short stacking energy: -139.389
Base-Backbone interact. energy: -1.722
local terms energy: -154.309235
where:
bonds (distance) C4'-P energy: -35.618
bonds (distance) P-C4' energy: -39.121
flat angles C4'-P-C4' energy: -25.598
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -37.688
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: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -476.153463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.153463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.153463 (E_RNA)
where:
Base-Base interactions energy: -305.743
where: short stacking energy: -146.850
Base-Backbone interact. energy: 0.154
local terms energy: -170.564418
where:
bonds (distance) C4'-P energy: -30.334
bonds (distance) P-C4' energy: -38.151
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -48.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -440.977464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.977464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.977464 (E_RNA)
where:
Base-Base interactions energy: -279.383
where: short stacking energy: -131.043
Base-Backbone interact. energy: -0.074
local terms energy: -161.520368
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -36.379
flat angles C4'-P-C4' energy: -34.319
flat angles P-C4'-P energy: -22.815
tors. eta vs tors. theta energy: -41.774
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: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -299.133503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.133503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.133503 (E_RNA)
where:
Base-Base interactions energy: -181.221
where: short stacking energy: -70.244
Base-Backbone interact. energy: -0.065
local terms energy: -117.847197
where:
bonds (distance) C4'-P energy: -31.789
bonds (distance) P-C4' energy: -32.290
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -277.432280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.432280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.432280 (E_RNA)
where:
Base-Base interactions energy: -146.734
where: short stacking energy: -80.810
Base-Backbone interact. energy: -1.605
local terms energy: -129.092685
where:
bonds (distance) C4'-P energy: -32.865
bonds (distance) P-C4' energy: -30.840
flat angles C4'-P-C4' energy: -34.610
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -166.442381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.442381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.442381 (E_RNA)
where:
Base-Base interactions energy: -50.254
where: short stacking energy: -44.239
Base-Backbone interact. energy: -0.387
local terms energy: -115.801477
where:
bonds (distance) C4'-P energy: -36.459
bonds (distance) P-C4' energy: -36.341
flat angles C4'-P-C4' energy: -25.670
flat angles P-C4'-P energy: -23.517
tors. eta vs tors. theta energy: 6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -161.272410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.272410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.272410 (E_RNA)
where:
Base-Base interactions energy: -35.056
where: short stacking energy: -33.189
Base-Backbone interact. energy: 3.657
local terms energy: -129.874274
where:
bonds (distance) C4'-P energy: -37.146
bonds (distance) P-C4' energy: -38.494
flat angles C4'-P-C4' energy: -27.221
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -143.847764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.847764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.847764 (E_RNA)
where:
Base-Base interactions energy: -46.366
where: short stacking energy: -36.694
Base-Backbone interact. energy: 1.343
local terms energy: -98.824822
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -31.143
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: 6.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -578.321213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.321213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.321213 (E_RNA)
where:
Base-Base interactions energy: -386.349
where: short stacking energy: -172.446
Base-Backbone interact. energy: -0.193
local terms energy: -191.780098
where:
bonds (distance) C4'-P energy: -33.620
bonds (distance) P-C4' energy: -39.718
flat angles C4'-P-C4' energy: -37.697
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: -55.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -509.644738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.644738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.644738 (E_RNA)
where:
Base-Base interactions energy: -341.875
where: short stacking energy: -137.352
Base-Backbone interact. energy: 1.043
local terms energy: -168.812972
where:
bonds (distance) C4'-P energy: -35.708
bonds (distance) P-C4' energy: -35.586
flat angles C4'-P-C4' energy: -37.091
flat angles P-C4'-P energy: -22.527
tors. eta vs tors. theta energy: -37.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -529.252955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.252955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.252955 (E_RNA)
where:
Base-Base interactions energy: -365.685
where: short stacking energy: -145.079
Base-Backbone interact. energy: -0.666
local terms energy: -162.902137
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -26.513
flat angles C4'-P-C4' energy: -41.632
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -41.298
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: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -451.220306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.220306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.220306 (E_RNA)
where:
Base-Base interactions energy: -292.484
where: short stacking energy: -118.393
Base-Backbone interact. energy: -0.325
local terms energy: -158.411410
where:
bonds (distance) C4'-P energy: -29.337
bonds (distance) P-C4' energy: -33.026
flat angles C4'-P-C4' energy: -39.543
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -39.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -424.012012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.012012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.012012 (E_RNA)
where:
Base-Base interactions energy: -267.611
where: short stacking energy: -123.473
Base-Backbone interact. energy: -0.842
local terms energy: -155.558913
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -33.377
flat angles C4'-P-C4' energy: -30.939
flat angles P-C4'-P energy: -24.767
tors. eta vs tors. theta energy: -34.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -319.229969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.229969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.229969 (E_RNA)
where:
Base-Base interactions energy: -190.463
where: short stacking energy: -74.027
Base-Backbone interact. energy: -0.729
local terms energy: -128.038575
where:
bonds (distance) C4'-P energy: -31.253
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -11.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -252.437014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.437014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.437014 (E_RNA)
where:
Base-Base interactions energy: -142.312
where: short stacking energy: -55.080
Base-Backbone interact. energy: -0.673
local terms energy: -109.452235
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -29.605
flat angles C4'-P-C4' energy: -27.716
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -11.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -178.394129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.394129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.394129 (E_RNA)
where:
Base-Base interactions energy: -54.954
where: short stacking energy: -39.406
Base-Backbone interact. energy: -0.879
local terms energy: -122.561018
where:
bonds (distance) C4'-P energy: -36.315
bonds (distance) P-C4' energy: -37.277
flat angles C4'-P-C4' energy: -27.197
flat angles P-C4'-P energy: -17.582
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -166.760474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.760474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.760474 (E_RNA)
where:
Base-Base interactions energy: -61.601
where: short stacking energy: -49.726
Base-Backbone interact. energy: -0.147
local terms energy: -105.012629
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -34.587
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -20.280
tors. eta vs tors. theta energy: 1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -142.779419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.779419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.779419 (E_RNA)
where:
Base-Base interactions energy: -43.127
where: short stacking energy: -31.886
Base-Backbone interact. energy: -0.202
local terms energy: -99.450099
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -32.007
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: 7.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -567.368746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.368746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.368746 (E_RNA)
where:
Base-Base interactions energy: -387.484
where: short stacking energy: -165.816
Base-Backbone interact. energy: 3.566
local terms energy: -183.451150
where:
bonds (distance) C4'-P energy: -37.002
bonds (distance) P-C4' energy: -32.582
flat angles C4'-P-C4' energy: -39.362
flat angles P-C4'-P energy: -24.966
tors. eta vs tors. theta energy: -49.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -545.305181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.305181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.305181 (E_RNA)
where:
Base-Base interactions energy: -389.061
where: short stacking energy: -133.405
Base-Backbone interact. energy: -0.225
local terms energy: -156.019712
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -27.374
flat angles C4'-P-C4' energy: -32.551
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -45.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -502.180940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.180940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.180940 (E_RNA)
where:
Base-Base interactions energy: -344.957
where: short stacking energy: -133.831
Base-Backbone interact. energy: -1.832
local terms energy: -155.391757
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -37.335
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -40.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -474.178165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.178165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.178165 (E_RNA)
where:
Base-Base interactions energy: -307.734
where: short stacking energy: -135.686
Base-Backbone interact. energy: 0.092
local terms energy: -166.536187
where:
bonds (distance) C4'-P energy: -32.217
bonds (distance) P-C4' energy: -38.380
flat angles C4'-P-C4' energy: -30.071
flat angles P-C4'-P energy: -27.195
tors. eta vs tors. theta energy: -38.674
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: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -369.389842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.389842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.389842 (E_RNA)
where:
Base-Base interactions energy: -214.799
where: short stacking energy: -90.895
Base-Backbone interact. energy: -1.082
local terms energy: -153.508652
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -36.116
flat angles C4'-P-C4' energy: -33.254
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: -27.135
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: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -271.645822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.645822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.645822 (E_RNA)
where:
Base-Base interactions energy: -151.113
where: short stacking energy: -63.893
Base-Backbone interact. energy: -2.699
local terms energy: -117.834053
where:
bonds (distance) C4'-P energy: -33.884
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -29.091
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -313.905408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.905408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.905408 (E_RNA)
where:
Base-Base interactions energy: -177.902
where: short stacking energy: -85.942
Base-Backbone interact. energy: -0.174
local terms energy: -135.830325
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -41.365
flat angles C4'-P-C4' energy: -31.946
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -167.695068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.695068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.695068 (E_RNA)
where:
Base-Base interactions energy: -55.115
where: short stacking energy: -31.496
Base-Backbone interact. energy: -0.954
local terms energy: -111.626489
where:
bonds (distance) C4'-P energy: -36.198
bonds (distance) P-C4' energy: -36.547
flat angles C4'-P-C4' energy: -27.312
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: 6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -162.488020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.488020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.488020 (E_RNA)
where:
Base-Base interactions energy: -52.411
where: short stacking energy: -34.071
Base-Backbone interact. energy: -0.544
local terms energy: -109.532295
where:
bonds (distance) C4'-P energy: -27.411
bonds (distance) P-C4' energy: -38.581
flat angles C4'-P-C4' energy: -31.901
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -151.655433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.655433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.655433 (E_RNA)
where:
Base-Base interactions energy: -48.687
where: short stacking energy: -28.669
Base-Backbone interact. energy: 0.136
local terms energy: -103.104282
where:
bonds (distance) C4'-P energy: -30.265
bonds (distance) P-C4' energy: -35.174
flat angles C4'-P-C4' energy: -26.769
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: 6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -559.612443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.612443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.612443 (E_RNA)
where:
Base-Base interactions energy: -376.440
where: short stacking energy: -135.123
Base-Backbone interact. energy: -1.536
local terms energy: -181.636027
where:
bonds (distance) C4'-P energy: -35.962
bonds (distance) P-C4' energy: -36.734
flat angles C4'-P-C4' energy: -39.157
flat angles P-C4'-P energy: -23.570
tors. eta vs tors. theta energy: -46.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -551.775253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.775253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.775253 (E_RNA)
where:
Base-Base interactions energy: -364.590
where: short stacking energy: -162.800
Base-Backbone interact. energy: -0.016
local terms energy: -187.169440
where:
bonds (distance) C4'-P energy: -32.223
bonds (distance) P-C4' energy: -36.040
flat angles C4'-P-C4' energy: -37.083
flat angles P-C4'-P energy: -29.892
tors. eta vs tors. theta energy: -51.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -524.655076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.655076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.655076 (E_RNA)
where:
Base-Base interactions energy: -353.118
where: short stacking energy: -143.796
Base-Backbone interact. energy: -0.168
local terms energy: -171.369074
where:
bonds (distance) C4'-P energy: -32.932
bonds (distance) P-C4' energy: -32.372
flat angles C4'-P-C4' energy: -38.799
flat angles P-C4'-P energy: -24.468
tors. eta vs tors. theta energy: -42.798
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: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -479.874845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.874845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.874845 (E_RNA)
where:
Base-Base interactions energy: -309.163
where: short stacking energy: -127.814
Base-Backbone interact. energy: -0.080
local terms energy: -170.631734
where:
bonds (distance) C4'-P energy: -32.627
bonds (distance) P-C4' energy: -33.938
flat angles C4'-P-C4' energy: -38.892
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -42.561
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: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -377.124587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.124587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.124587 (E_RNA)
where:
Base-Base interactions energy: -235.737
where: short stacking energy: -100.434
Base-Backbone interact. energy: -0.966
local terms energy: -140.421411
where:
bonds (distance) C4'-P energy: -29.178
bonds (distance) P-C4' energy: -28.867
flat angles C4'-P-C4' energy: -33.132
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -23.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -323.354066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.354066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.354066 (E_RNA)
where:
Base-Base interactions energy: -186.292
where: short stacking energy: -82.276
Base-Backbone interact. energy: 1.095
local terms energy: -138.157497
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -36.182
flat angles P-C4'-P energy: -28.083
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -278.574790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.574790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.574790 (E_RNA)
where:
Base-Base interactions energy: -147.929
where: short stacking energy: -73.269
Base-Backbone interact. energy: -0.965
local terms energy: -129.680626
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -36.579
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: -9.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -188.414598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.414598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.414598 (E_RNA)
where:
Base-Base interactions energy: -62.170
where: short stacking energy: -44.684
Base-Backbone interact. energy: -0.602
local terms energy: -125.642712
where:
bonds (distance) C4'-P energy: -29.364
bonds (distance) P-C4' energy: -36.621
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -154.819037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.819037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.819037 (E_RNA)
where:
Base-Base interactions energy: -53.866
where: short stacking energy: -37.307
Base-Backbone interact. energy: -0.342
local terms energy: -100.611640
where:
bonds (distance) C4'-P energy: -28.366
bonds (distance) P-C4' energy: -37.958
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: 11.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -153.241416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.241416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.241416 (E_RNA)
where:
Base-Base interactions energy: -46.552
where: short stacking energy: -40.794
Base-Backbone interact. energy: -0.744
local terms energy: -105.945615
where:
bonds (distance) C4'-P energy: -26.049
bonds (distance) P-C4' energy: -34.346
flat angles C4'-P-C4' energy: -28.683
flat angles P-C4'-P energy: -18.984
tors. eta vs tors. theta energy: 2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -574.335198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.335198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.335198 (E_RNA)
where:
Base-Base interactions energy: -396.431
where: short stacking energy: -150.472
Base-Backbone interact. energy: -2.484
local terms energy: -175.420876
where:
bonds (distance) C4'-P energy: -32.448
bonds (distance) P-C4' energy: -39.206
flat angles C4'-P-C4' energy: -40.566
flat angles P-C4'-P energy: -20.642
tors. eta vs tors. theta energy: -42.559
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: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -556.775953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.775953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.775953 (E_RNA)
where:
Base-Base interactions energy: -357.170
where: short stacking energy: -160.663
Base-Backbone interact. energy: -0.143
local terms energy: -199.463128
where:
bonds (distance) C4'-P energy: -36.053
bonds (distance) P-C4' energy: -40.183
flat angles C4'-P-C4' energy: -38.742
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -58.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -503.131676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.131676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.131676 (E_RNA)
where:
Base-Base interactions energy: -336.067
where: short stacking energy: -130.513
Base-Backbone interact. energy: 0.860
local terms energy: -167.925099
where:
bonds (distance) C4'-P energy: -32.820
bonds (distance) P-C4' energy: -38.720
flat angles C4'-P-C4' energy: -37.099
flat angles P-C4'-P energy: -24.536
tors. eta vs tors. theta energy: -34.750
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: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -509.525352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.525352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.525352 (E_RNA)
where:
Base-Base interactions energy: -340.824
where: short stacking energy: -159.104
Base-Backbone interact. energy: -0.139
local terms energy: -168.563021
where:
bonds (distance) C4'-P energy: -30.695
bonds (distance) P-C4' energy: -30.127
flat angles C4'-P-C4' energy: -35.030
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -48.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -411.986303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.986303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.986303 (E_RNA)
where:
Base-Base interactions energy: -268.796
where: short stacking energy: -116.721
Base-Backbone interact. energy: -1.228
local terms energy: -141.962122
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -30.825
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -22.686
tors. eta vs tors. theta energy: -28.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -295.679542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.679542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.679542 (E_RNA)
where:
Base-Base interactions energy: -185.954
where: short stacking energy: -84.324
Base-Backbone interact. energy: -1.467
local terms energy: -108.259078
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -38.114
flat angles C4'-P-C4' energy: -37.924
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -283.605691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.605691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.605691 (E_RNA)
where:
Base-Base interactions energy: -169.625
where: short stacking energy: -79.132
Base-Backbone interact. energy: -0.625
local terms energy: -113.354871
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -26.391
flat angles C4'-P-C4' energy: -35.219
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -18.047
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: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -166.042970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.042970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.042970 (E_RNA)
where:
Base-Base interactions energy: -52.230
where: short stacking energy: -48.908
Base-Backbone interact. energy: -1.100
local terms energy: -112.712564
where:
bonds (distance) C4'-P energy: -27.648
bonds (distance) P-C4' energy: -27.399
flat angles C4'-P-C4' energy: -33.017
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -3.371
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: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -157.819972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.819972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.819972 (E_RNA)
where:
Base-Base interactions energy: -52.995
where: short stacking energy: -46.446
Base-Backbone interact. energy: -0.521
local terms energy: -104.304208
where:
bonds (distance) C4'-P energy: -33.171
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -8.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -146.175748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.175748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.175748 (E_RNA)
where:
Base-Base interactions energy: -42.406
where: short stacking energy: -38.242
Base-Backbone interact. energy: -0.255
local terms energy: -103.515020
where:
bonds (distance) C4'-P energy: -32.271
bonds (distance) P-C4' energy: -38.123
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: 8.548
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: 326
Temperature: 0.900000
Total energy: -561.027440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.027440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.027440 (E_RNA)
where:
Base-Base interactions energy: -381.445
where: short stacking energy: -173.561
Base-Backbone interact. energy: -0.210
local terms energy: -179.372953
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -37.247
flat angles C4'-P-C4' energy: -37.697
flat angles P-C4'-P energy: -25.140
tors. eta vs tors. theta energy: -51.560
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: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -544.874473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.874473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.874473 (E_RNA)
where:
Base-Base interactions energy: -378.610
where: short stacking energy: -144.043
Base-Backbone interact. energy: -1.763
local terms energy: -164.501438
where:
bonds (distance) C4'-P energy: -32.104
bonds (distance) P-C4' energy: -34.621
flat angles C4'-P-C4' energy: -36.019
flat angles P-C4'-P energy: -21.457
tors. eta vs tors. theta energy: -40.301
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: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -497.007110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.007110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.007110 (E_RNA)
where:
Base-Base interactions energy: -326.317
where: short stacking energy: -155.967
Base-Backbone interact. energy: -0.367
local terms energy: -170.323303
where:
bonds (distance) C4'-P energy: -22.751
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -36.750
flat angles P-C4'-P energy: -28.085
tors. eta vs tors. theta energy: -50.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -484.917296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.917296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.917296 (E_RNA)
where:
Base-Base interactions energy: -329.552
where: short stacking energy: -120.680
Base-Backbone interact. energy: 7.943
local terms energy: -163.308047
where:
bonds (distance) C4'-P energy: -33.534
bonds (distance) P-C4' energy: -33.267
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -25.898
tors. eta vs tors. theta energy: -35.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -416.215792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.215792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.215792 (E_RNA)
where:
Base-Base interactions energy: -263.348
where: short stacking energy: -115.869
Base-Backbone interact. energy: -0.225
local terms energy: -152.642573
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -31.019
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -24.147
tors. eta vs tors. theta energy: -32.381
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: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -337.681935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.681935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.681935 (E_RNA)
where:
Base-Base interactions energy: -198.042
where: short stacking energy: -86.731
Base-Backbone interact. energy: 1.119
local terms energy: -140.758801
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -35.022
flat angles C4'-P-C4' energy: -33.019
flat angles P-C4'-P energy: -23.020
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: 7, replica: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -211.570359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.570359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.570359 (E_RNA)
where:
Base-Base interactions energy: -97.276
where: short stacking energy: -54.846
Base-Backbone interact. energy: -0.787
local terms energy: -113.507004
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -31.143
flat angles C4'-P-C4' energy: -31.815
flat angles P-C4'-P energy: -21.692
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: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -191.566920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.566920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.566920 (E_RNA)
where:
Base-Base interactions energy: -83.373
where: short stacking energy: -55.833
Base-Backbone interact. energy: 0.202
local terms energy: -108.395545
where:
bonds (distance) C4'-P energy: -27.780
bonds (distance) P-C4' energy: -33.306
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -150.922428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.922428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.922428 (E_RNA)
where:
Base-Base interactions energy: -52.702
where: short stacking energy: -43.784
Base-Backbone interact. energy: -0.777
local terms energy: -97.443671
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -31.426
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: 1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -145.356569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.356569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.356569 (E_RNA)
where:
Base-Base interactions energy: -41.710
where: short stacking energy: -39.429
Base-Backbone interact. energy: 0.964
local terms energy: -104.610668
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -28.292
flat angles C4'-P-C4' energy: -28.638
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: 2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -563.243228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.243228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.243228 (E_RNA)
where:
Base-Base interactions energy: -379.100
where: short stacking energy: -168.104
Base-Backbone interact. energy: -0.502
local terms energy: -183.640359
where:
bonds (distance) C4'-P energy: -36.015
bonds (distance) P-C4' energy: -33.275
flat angles C4'-P-C4' energy: -38.725
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -55.835
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: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -545.553278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.553278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.553278 (E_RNA)
where:
Base-Base interactions energy: -394.566
where: short stacking energy: -148.114
Base-Backbone interact. energy: -1.086
local terms energy: -149.901820
where:
bonds (distance) C4'-P energy: -30.704
bonds (distance) P-C4' energy: -28.887
flat angles C4'-P-C4' energy: -34.928
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -39.293
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: 3, replica: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -529.792293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.792293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.792293 (E_RNA)
where:
Base-Base interactions energy: -338.121
where: short stacking energy: -165.782
Base-Backbone interact. energy: -0.011
local terms energy: -191.660001
where:
bonds (distance) C4'-P energy: -33.680
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -38.033
flat angles P-C4'-P energy: -30.134
tors. eta vs tors. theta energy: -53.285
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: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -463.584758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.584758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.584758 (E_RNA)
where:
Base-Base interactions energy: -301.083
where: short stacking energy: -122.170
Base-Backbone interact. energy: -1.538
local terms energy: -160.963476
where:
bonds (distance) C4'-P energy: -34.060
bonds (distance) P-C4' energy: -35.136
flat angles C4'-P-C4' energy: -37.568
flat angles P-C4'-P energy: -25.879
tors. eta vs tors. theta energy: -28.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -369.114040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.114040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.114040 (E_RNA)
where:
Base-Base interactions energy: -227.273
where: short stacking energy: -100.599
Base-Backbone interact. energy: -1.137
local terms energy: -140.703570
where:
bonds (distance) C4'-P energy: -34.192
bonds (distance) P-C4' energy: -34.693
flat angles C4'-P-C4' energy: -32.085
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -21.368
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: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -282.339188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.339188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.339188 (E_RNA)
where:
Base-Base interactions energy: -150.226
where: short stacking energy: -98.111
Base-Backbone interact. energy: -0.178
local terms energy: -131.934886
where:
bonds (distance) C4'-P energy: -30.332
bonds (distance) P-C4' energy: -30.402
flat angles C4'-P-C4' energy: -31.179
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -207.020270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.020270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.020270 (E_RNA)
where:
Base-Base interactions energy: -108.061
where: short stacking energy: -55.016
Base-Backbone interact. energy: -2.402
local terms energy: -96.557339
where:
bonds (distance) C4'-P energy: -27.747
bonds (distance) P-C4' energy: -33.518
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -22.338
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: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -194.224424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.224424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.224424 (E_RNA)
where:
Base-Base interactions energy: -79.111
where: short stacking energy: -48.043
Base-Backbone interact. energy: -0.152
local terms energy: -114.960705
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -27.498
flat angles P-C4'-P energy: -22.163
tors. eta vs tors. theta energy: 1.163
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: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -165.042997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.042997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.042997 (E_RNA)
where:
Base-Base interactions energy: -70.389
where: short stacking energy: -44.652
Base-Backbone interact. energy: 2.865
local terms energy: -97.518625
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -28.788
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: 1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -166.270060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.270060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.270060 (E_RNA)
where:
Base-Base interactions energy: -57.033
where: short stacking energy: -44.683
Base-Backbone interact. energy: -0.702
local terms energy: -108.534940
where:
bonds (distance) C4'-P energy: -36.070
bonds (distance) P-C4' energy: -28.265
flat angles C4'-P-C4' energy: -39.807
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: 7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -559.433017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.433017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.433017 (E_RNA)
where:
Base-Base interactions energy: -375.574
where: short stacking energy: -155.639
Base-Backbone interact. energy: -0.164
local terms energy: -183.694873
where:
bonds (distance) C4'-P energy: -28.074
bonds (distance) P-C4' energy: -36.191
flat angles C4'-P-C4' energy: -39.162
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -54.293
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: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -543.508445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.508445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.508445 (E_RNA)
where:
Base-Base interactions energy: -365.989
where: short stacking energy: -138.958
Base-Backbone interact. energy: 0.338
local terms energy: -177.856862
where:
bonds (distance) C4'-P energy: -31.524
bonds (distance) P-C4' energy: -37.186
flat angles C4'-P-C4' energy: -36.232
flat angles P-C4'-P energy: -27.337
tors. eta vs tors. theta energy: -45.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -520.794348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.794348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.794348 (E_RNA)
where:
Base-Base interactions energy: -332.782
where: short stacking energy: -158.815
Base-Backbone interact. energy: -0.074
local terms energy: -187.937885
where:
bonds (distance) C4'-P energy: -30.012
bonds (distance) P-C4' energy: -36.740
flat angles C4'-P-C4' energy: -39.295
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -52.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -496.464497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.464497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.464497 (E_RNA)
where:
Base-Base interactions energy: -327.050
where: short stacking energy: -138.925
Base-Backbone interact. energy: -2.257
local terms energy: -167.157089
where:
bonds (distance) C4'-P energy: -35.866
bonds (distance) P-C4' energy: -37.304
flat angles C4'-P-C4' energy: -39.006
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -35.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -304.185622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.185622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.185622 (E_RNA)
where:
Base-Base interactions energy: -169.652
where: short stacking energy: -89.402
Base-Backbone interact. energy: -0.495
local terms energy: -134.038083
where:
bonds (distance) C4'-P energy: -34.434
bonds (distance) P-C4' energy: -33.435
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -15.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -298.982731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.982731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.982731 (E_RNA)
where:
Base-Base interactions energy: -166.881
where: short stacking energy: -85.766
Base-Backbone interact. energy: -0.507
local terms energy: -131.594661
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -32.653
flat angles C4'-P-C4' energy: -31.924
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -18.814
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: 328
Temperature: 1.200000
Total energy: -180.093489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.093489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.093489 (E_RNA)
where:
Base-Base interactions energy: -68.577
where: short stacking energy: -65.350
Base-Backbone interact. energy: -0.288
local terms energy: -111.228925
where:
bonds (distance) C4'-P energy: -29.636
bonds (distance) P-C4' energy: -27.860
flat angles C4'-P-C4' energy: -26.233
flat angles P-C4'-P energy: -18.622
tors. eta vs tors. theta energy: -8.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -195.667894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.667894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.667894 (E_RNA)
where:
Base-Base interactions energy: -88.067
where: short stacking energy: -49.318
Base-Backbone interact. energy: -0.630
local terms energy: -106.971510
where:
bonds (distance) C4'-P energy: -32.412
bonds (distance) P-C4' energy: -36.517
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: 0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -193.381981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.381981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.381981 (E_RNA)
where:
Base-Base interactions energy: -86.434
where: short stacking energy: -42.492
Base-Backbone interact. energy: -1.072
local terms energy: -105.876403
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -39.272
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: 7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -172.191328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.191328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.191328 (E_RNA)
where:
Base-Base interactions energy: -72.707
where: short stacking energy: -39.645
Base-Backbone interact. energy: 5.112
local terms energy: -104.596770
where:
bonds (distance) C4'-P energy: -34.528
bonds (distance) P-C4' energy: -25.675
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -25.660
tors. eta vs tors. theta energy: 4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -560.489517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.489517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.489517 (E_RNA)
where:
Base-Base interactions energy: -385.001
where: short stacking energy: -173.150
Base-Backbone interact. energy: -0.088
local terms energy: -175.400667
where:
bonds (distance) C4'-P energy: -33.965
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -34.103
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -54.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -553.288603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.288603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.288603 (E_RNA)
where:
Base-Base interactions energy: -395.237
where: short stacking energy: -149.131
Base-Backbone interact. energy: -2.001
local terms energy: -156.050986
where:
bonds (distance) C4'-P energy: -34.061
bonds (distance) P-C4' energy: -31.229
flat angles C4'-P-C4' energy: -35.182
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -39.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -511.337673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.337673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.337673 (E_RNA)
where:
Base-Base interactions energy: -320.357
where: short stacking energy: -151.994
Base-Backbone interact. energy: -0.121
local terms energy: -190.859736
where:
bonds (distance) C4'-P energy: -30.712
bonds (distance) P-C4' energy: -35.445
flat angles C4'-P-C4' energy: -42.025
flat angles P-C4'-P energy: -26.435
tors. eta vs tors. theta energy: -56.242
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: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -453.839303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.839303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.839303 (E_RNA)
where:
Base-Base interactions energy: -287.408
where: short stacking energy: -139.011
Base-Backbone interact. energy: -0.201
local terms energy: -166.231171
where:
bonds (distance) C4'-P energy: -33.717
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -36.126
flat angles P-C4'-P energy: -24.708
tors. eta vs tors. theta energy: -42.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -293.065355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.065355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.065355 (E_RNA)
where:
Base-Base interactions energy: -156.694
where: short stacking energy: -97.032
Base-Backbone interact. energy: -0.534
local terms energy: -135.837877
where:
bonds (distance) C4'-P energy: -38.293
bonds (distance) P-C4' energy: -35.155
flat angles C4'-P-C4' energy: -31.926
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -311.359032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.359032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.359032 (E_RNA)
where:
Base-Base interactions energy: -176.930
where: short stacking energy: -92.585
Base-Backbone interact. energy: -1.292
local terms energy: -133.136995
where:
bonds (distance) C4'-P energy: -26.030
bonds (distance) P-C4' energy: -36.086
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -19.748
tors. eta vs tors. theta energy: -27.505
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: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -220.494887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.494887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.494887 (E_RNA)
where:
Base-Base interactions energy: -103.150
where: short stacking energy: -36.750
Base-Backbone interact. energy: -2.021
local terms energy: -115.324151
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -184.155020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.155020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.155020 (E_RNA)
where:
Base-Base interactions energy: -55.458
where: short stacking energy: -55.458
Base-Backbone interact. energy: -0.316
local terms energy: -128.380461
where:
bonds (distance) C4'-P energy: -30.491
bonds (distance) P-C4' energy: -36.186
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -156.776954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.776954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.776954 (E_RNA)
where:
Base-Base interactions energy: -56.652
where: short stacking energy: -40.539
Base-Backbone interact. energy: -0.998
local terms energy: -99.126807
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -28.819
flat angles C4'-P-C4' energy: -29.832
flat angles P-C4'-P energy: -17.560
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: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -180.520956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.520956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.520956 (E_RNA)
where:
Base-Base interactions energy: -75.758
where: short stacking energy: -37.706
Base-Backbone interact. energy: -1.487
local terms energy: -103.275842
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -33.019
flat angles C4'-P-C4' energy: -25.200
flat angles P-C4'-P energy: -20.740
tors. eta vs tors. theta energy: 6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -566.342501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.342501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.342501 (E_RNA)
where:
Base-Base interactions energy: -364.489
where: short stacking energy: -159.647
Base-Backbone interact. energy: -1.406
local terms energy: -200.447791
where:
bonds (distance) C4'-P energy: -38.575
bonds (distance) P-C4' energy: -41.091
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -31.636
tors. eta vs tors. theta energy: -51.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -551.618172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.618172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.618172 (E_RNA)
where:
Base-Base interactions energy: -377.027
where: short stacking energy: -132.129
Base-Backbone interact. energy: -1.209
local terms energy: -173.381855
where:
bonds (distance) C4'-P energy: -28.589
bonds (distance) P-C4' energy: -41.134
flat angles C4'-P-C4' energy: -33.679
flat angles P-C4'-P energy: -27.961
tors. eta vs tors. theta energy: -42.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -509.846804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.846804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.846804 (E_RNA)
where:
Base-Base interactions energy: -339.413
where: short stacking energy: -143.794
Base-Backbone interact. energy: -0.090
local terms energy: -170.344095
where:
bonds (distance) C4'-P energy: -33.119
bonds (distance) P-C4' energy: -34.525
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -26.243
tors. eta vs tors. theta energy: -44.113
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: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -460.055592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.055592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.055592 (E_RNA)
where:
Base-Base interactions energy: -301.716
where: short stacking energy: -128.621
Base-Backbone interact. energy: -1.219
local terms energy: -157.120617
where:
bonds (distance) C4'-P energy: -33.443
bonds (distance) P-C4' energy: -30.690
flat angles C4'-P-C4' energy: -38.526
flat angles P-C4'-P energy: -25.008
tors. eta vs tors. theta energy: -29.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -360.236839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.236839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.236839 (E_RNA)
where:
Base-Base interactions energy: -211.452
where: short stacking energy: -109.961
Base-Backbone interact. energy: -0.086
local terms energy: -148.698841
where:
bonds (distance) C4'-P energy: -31.431
bonds (distance) P-C4' energy: -32.946
flat angles C4'-P-C4' energy: -34.518
flat angles P-C4'-P energy: -18.845
tors. eta vs tors. theta energy: -30.960
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: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -267.017941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.017941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.017941 (E_RNA)
where:
Base-Base interactions energy: -140.798
where: short stacking energy: -82.067
Base-Backbone interact. energy: -0.011
local terms energy: -126.209001
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -34.058
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -21.003
tors. eta vs tors. theta energy: -12.494
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: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -179.016409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.016409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.016409 (E_RNA)
where:
Base-Base interactions energy: -67.008
where: short stacking energy: -56.910
Base-Backbone interact. energy: -0.404
local terms energy: -111.603814
where:
bonds (distance) C4'-P energy: -28.919
bonds (distance) P-C4' energy: -30.598
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -179.574853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.574853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.574853 (E_RNA)
where:
Base-Base interactions energy: -80.787
where: short stacking energy: -52.091
Base-Backbone interact. energy: 1.106
local terms energy: -99.893457
where:
bonds (distance) C4'-P energy: -34.608
bonds (distance) P-C4' energy: -27.731
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: 5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -168.199265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.199265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.199265 (E_RNA)
where:
Base-Base interactions energy: -76.566
where: short stacking energy: -64.838
Base-Backbone interact. energy: 1.762
local terms energy: -93.395686
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -144.255731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.255731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.255731 (E_RNA)
where:
Base-Base interactions energy: -50.110
where: short stacking energy: -28.770
Base-Backbone interact. energy: -0.718
local terms energy: -93.427807
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -28.332
flat angles C4'-P-C4' energy: -28.222
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: 3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -581.124018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.124018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.124018 (E_RNA)
where:
Base-Base interactions energy: -387.060
where: short stacking energy: -159.586
Base-Backbone interact. energy: -0.298
local terms energy: -193.766640
where:
bonds (distance) C4'-P energy: -30.220
bonds (distance) P-C4' energy: -39.999
flat angles C4'-P-C4' energy: -40.652
flat angles P-C4'-P energy: -32.589
tors. eta vs tors. theta energy: -50.307
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: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -523.631709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.631709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.631709 (E_RNA)
where:
Base-Base interactions energy: -343.367
where: short stacking energy: -145.165
Base-Backbone interact. energy: -0.519
local terms energy: -179.745627
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -33.129
flat angles C4'-P-C4' energy: -39.534
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -49.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -522.984819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.984819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.984819 (E_RNA)
where:
Base-Base interactions energy: -363.581
where: short stacking energy: -133.113
Base-Backbone interact. energy: -0.871
local terms energy: -158.532888
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -32.710
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -40.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -398.431904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.431904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.431904 (E_RNA)
where:
Base-Base interactions energy: -234.105
where: short stacking energy: -117.725
Base-Backbone interact. energy: -1.078
local terms energy: -163.249405
where:
bonds (distance) C4'-P energy: -35.036
bonds (distance) P-C4' energy: -38.449
flat angles C4'-P-C4' energy: -32.910
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: -34.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -340.194125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.194125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.194125 (E_RNA)
where:
Base-Base interactions energy: -212.019
where: short stacking energy: -95.730
Base-Backbone interact. energy: -0.320
local terms energy: -127.855655
where:
bonds (distance) C4'-P energy: -33.776
bonds (distance) P-C4' energy: -32.897
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -282.123082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.123082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.123082 (E_RNA)
where:
Base-Base interactions energy: -147.590
where: short stacking energy: -71.067
Base-Backbone interact. energy: -0.772
local terms energy: -133.760542
where:
bonds (distance) C4'-P energy: -30.755
bonds (distance) P-C4' energy: -34.051
flat angles C4'-P-C4' energy: -35.019
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -197.566338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.566338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.566338 (E_RNA)
where:
Base-Base interactions energy: -73.072
where: short stacking energy: -62.172
Base-Backbone interact. energy: 0.015
local terms energy: -124.509673
where:
bonds (distance) C4'-P energy: -30.050
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -29.895
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -11.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -161.932799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.932799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.932799 (E_RNA)
where:
Base-Base interactions energy: -51.571
where: short stacking energy: -45.140
Base-Backbone interact. energy: -1.307
local terms energy: -109.054620
where:
bonds (distance) C4'-P energy: -36.042
bonds (distance) P-C4' energy: -36.806
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: 4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -163.635999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.635999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.635999 (E_RNA)
where:
Base-Base interactions energy: -58.414
where: short stacking energy: -47.722
Base-Backbone interact. energy: -0.774
local terms energy: -104.447953
where:
bonds (distance) C4'-P energy: -30.242
bonds (distance) P-C4' energy: -33.870
flat angles C4'-P-C4' energy: -26.947
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: 0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -146.694450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.694450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.694450 (E_RNA)
where:
Base-Base interactions energy: -39.988
where: short stacking energy: -28.488
Base-Backbone interact. energy: -1.099
local terms energy: -105.607584
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -35.446
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: 4.083
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: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -561.742519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.742519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.742519 (E_RNA)
where:
Base-Base interactions energy: -372.629
where: short stacking energy: -158.517
Base-Backbone interact. energy: -0.041
local terms energy: -189.072624
where:
bonds (distance) C4'-P energy: -35.570
bonds (distance) P-C4' energy: -38.614
flat angles C4'-P-C4' energy: -41.493
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -50.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -545.710197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.710197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.710197 (E_RNA)
where:
Base-Base interactions energy: -359.747
where: short stacking energy: -179.696
Base-Backbone interact. energy: 0.109
local terms energy: -186.071740
where:
bonds (distance) C4'-P energy: -30.788
bonds (distance) P-C4' energy: -34.923
flat angles C4'-P-C4' energy: -35.784
flat angles P-C4'-P energy: -27.975
tors. eta vs tors. theta energy: -56.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -529.626696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.626696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.626696 (E_RNA)
where:
Base-Base interactions energy: -366.899
where: short stacking energy: -134.175
Base-Backbone interact. energy: -1.239
local terms energy: -161.489046
where:
bonds (distance) C4'-P energy: -35.956
bonds (distance) P-C4' energy: -34.391
flat angles C4'-P-C4' energy: -39.006
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -39.506
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: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -373.217871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.217871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.217871 (E_RNA)
where:
Base-Base interactions energy: -218.423
where: short stacking energy: -99.382
Base-Backbone interact. energy: -0.169
local terms energy: -154.626277
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -38.888
flat angles C4'-P-C4' energy: -34.971
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -30.311
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: 332
Temperature: 1.100000
Total energy: -319.223156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.223156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.223156 (E_RNA)
where:
Base-Base interactions energy: -184.913
where: short stacking energy: -94.084
Base-Backbone interact. energy: -0.200
local terms energy: -134.109616
where:
bonds (distance) C4'-P energy: -34.832
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -24.654
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: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -339.656507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.656507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.656507 (E_RNA)
where:
Base-Base interactions energy: -203.993
where: short stacking energy: -95.021
Base-Backbone interact. energy: -1.019
local terms energy: -134.644907
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -29.040
flat angles C4'-P-C4' energy: -36.024
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -22.774
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: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -162.668075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.668075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.668075 (E_RNA)
where:
Base-Base interactions energy: -47.006
where: short stacking energy: -38.354
Base-Backbone interact. energy: -1.583
local terms energy: -114.078751
where:
bonds (distance) C4'-P energy: -33.110
bonds (distance) P-C4' energy: -33.891
flat angles C4'-P-C4' energy: -37.111
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: 4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -164.915677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.915677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.915677 (E_RNA)
where:
Base-Base interactions energy: -63.974
where: short stacking energy: -43.191
Base-Backbone interact. energy: -0.662
local terms energy: -100.280020
where:
bonds (distance) C4'-P energy: -35.158
bonds (distance) P-C4' energy: -27.843
flat angles C4'-P-C4' energy: -30.283
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: 5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -188.479292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.479292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.479292 (E_RNA)
where:
Base-Base interactions energy: -86.261
where: short stacking energy: -47.254
Base-Backbone interact. energy: -1.662
local terms energy: -100.556725
where:
bonds (distance) C4'-P energy: -38.182
bonds (distance) P-C4' energy: -28.897
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -13.279
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)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -162.878416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.878416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.878416 (E_RNA)
where:
Base-Base interactions energy: -50.579
where: short stacking energy: -33.989
Base-Backbone interact. energy: -0.241
local terms energy: -112.058336
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -31.034
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: 1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -556.556724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.556724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.556724 (E_RNA)
where:
Base-Base interactions energy: -360.551
where: short stacking energy: -160.025
Base-Backbone interact. energy: -0.542
local terms energy: -195.464192
where:
bonds (distance) C4'-P energy: -36.469
bonds (distance) P-C4' energy: -39.121
flat angles C4'-P-C4' energy: -40.097
flat angles P-C4'-P energy: -27.099
tors. eta vs tors. theta energy: -52.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -548.377707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.377707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.377707 (E_RNA)
where:
Base-Base interactions energy: -381.499
where: short stacking energy: -130.915
Base-Backbone interact. energy: -0.546
local terms energy: -166.332821
where:
bonds (distance) C4'-P energy: -39.128
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -32.745
flat angles P-C4'-P energy: -26.483
tors. eta vs tors. theta energy: -38.731
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: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -534.578994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.578994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.578994 (E_RNA)
where:
Base-Base interactions energy: -355.498
where: short stacking energy: -167.275
Base-Backbone interact. energy: 1.515
local terms energy: -180.596382
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -43.142
flat angles P-C4'-P energy: -25.560
tors. eta vs tors. theta energy: -53.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -361.784219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.784219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.784219 (E_RNA)
where:
Base-Base interactions energy: -196.337
where: short stacking energy: -97.730
Base-Backbone interact. energy: -0.402
local terms energy: -165.045617
where:
bonds (distance) C4'-P energy: -36.702
bonds (distance) P-C4' energy: -38.526
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -23.304
tors. eta vs tors. theta energy: -29.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -306.552801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.552801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.552801 (E_RNA)
where:
Base-Base interactions energy: -174.999
where: short stacking energy: -90.786
Base-Backbone interact. energy: -1.498
local terms energy: -130.056601
where:
bonds (distance) C4'-P energy: -30.195
bonds (distance) P-C4' energy: -29.243
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -355.376965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.376965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.376965 (E_RNA)
where:
Base-Base interactions energy: -216.975
where: short stacking energy: -111.850
Base-Backbone interact. energy: -0.807
local terms energy: -137.594465
where:
bonds (distance) C4'-P energy: -27.446
bonds (distance) P-C4' energy: -29.823
flat angles C4'-P-C4' energy: -35.368
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -29.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -188.661864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.661864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.661864 (E_RNA)
where:
Base-Base interactions energy: -77.887
where: short stacking energy: -42.776
Base-Backbone interact. energy: -1.962
local terms energy: -108.812560
where:
bonds (distance) C4'-P energy: -30.445
bonds (distance) P-C4' energy: -37.565
flat angles C4'-P-C4' energy: -29.276
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: 4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -167.891923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.891923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.891923 (E_RNA)
where:
Base-Base interactions energy: -56.889
where: short stacking energy: -39.488
Base-Backbone interact. energy: -1.355
local terms energy: -109.647945
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -24.606
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: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -167.134112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.134112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.134112 (E_RNA)
where:
Base-Base interactions energy: -64.125
where: short stacking energy: -20.380
Base-Backbone interact. energy: -0.274
local terms energy: -102.735387
where:
bonds (distance) C4'-P energy: -32.144
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -28.569
flat angles P-C4'-P energy: -23.542
tors. eta vs tors. theta energy: 10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -160.677209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.677209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.677209 (E_RNA)
where:
Base-Base interactions energy: -64.367
where: short stacking energy: -37.004
Base-Backbone interact. energy: -0.452
local terms energy: -95.858767
where:
bonds (distance) C4'-P energy: -30.284
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -15.218
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: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -568.377678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.377678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.377678 (E_RNA)
where:
Base-Base interactions energy: -384.851
where: short stacking energy: -144.915
Base-Backbone interact. energy: -1.316
local terms energy: -182.211366
where:
bonds (distance) C4'-P energy: -36.820
bonds (distance) P-C4' energy: -39.953
flat angles C4'-P-C4' energy: -39.769
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: -43.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -540.752638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.752638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.752638 (E_RNA)
where:
Base-Base interactions energy: -365.749
where: short stacking energy: -152.590
Base-Backbone interact. energy: 0.108
local terms energy: -175.112115
where:
bonds (distance) C4'-P energy: -33.818
bonds (distance) P-C4' energy: -30.892
flat angles C4'-P-C4' energy: -32.694
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: -55.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -541.717430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.717430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.717430 (E_RNA)
where:
Base-Base interactions energy: -343.047
where: short stacking energy: -163.671
Base-Backbone interact. energy: -0.079
local terms energy: -198.591251
where:
bonds (distance) C4'-P energy: -37.266
bonds (distance) P-C4' energy: -41.390
flat angles C4'-P-C4' energy: -35.747
flat angles P-C4'-P energy: -31.038
tors. eta vs tors. theta energy: -53.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -353.534371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.534371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.534371 (E_RNA)
where:
Base-Base interactions energy: -220.031
where: short stacking energy: -115.384
Base-Backbone interact. energy: -0.718
local terms energy: -132.785110
where:
bonds (distance) C4'-P energy: -37.538
bonds (distance) P-C4' energy: -26.701
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -27.284
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: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -388.544927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.544927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.544927 (E_RNA)
where:
Base-Base interactions energy: -234.583
where: short stacking energy: -117.377
Base-Backbone interact. energy: 0.238
local terms energy: -154.199818
where:
bonds (distance) C4'-P energy: -35.882
bonds (distance) P-C4' energy: -31.995
flat angles C4'-P-C4' energy: -37.946
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: -28.298
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: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -286.093570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.093570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.093570 (E_RNA)
where:
Base-Base interactions energy: -158.327
where: short stacking energy: -71.108
Base-Backbone interact. energy: -0.845
local terms energy: -126.921546
where:
bonds (distance) C4'-P energy: -37.742
bonds (distance) P-C4' energy: -31.777
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -194.187316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.187316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.187316 (E_RNA)
where:
Base-Base interactions energy: -83.430
where: short stacking energy: -62.954
Base-Backbone interact. energy: -1.393
local terms energy: -109.363907
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -31.298
flat angles C4'-P-C4' energy: -30.861
flat angles P-C4'-P energy: -9.643
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: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -176.098266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.098266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.098266 (E_RNA)
where:
Base-Base interactions energy: -74.898
where: short stacking energy: -46.160
Base-Backbone interact. energy: -1.497
local terms energy: -99.702902
where:
bonds (distance) C4'-P energy: -33.739
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -25.593
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: 6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -172.967609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.967609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.967609 (E_RNA)
where:
Base-Base interactions energy: -71.572
where: short stacking energy: -39.976
Base-Backbone interact. energy: -0.152
local terms energy: -101.243579
where:
bonds (distance) C4'-P energy: -34.103
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: 4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -165.710149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.710149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.710149 (E_RNA)
where:
Base-Base interactions energy: -52.302
where: short stacking energy: -28.452
Base-Backbone interact. energy: -0.477
local terms energy: -112.931028
where:
bonds (distance) C4'-P energy: -38.110
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -33.840
flat angles P-C4'-P energy: -3.322
tors. eta vs tors. theta energy: -4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -570.239182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.239182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.239182 (E_RNA)
where:
Base-Base interactions energy: -400.075
where: short stacking energy: -145.820
Base-Backbone interact. energy: -2.630
local terms energy: -167.533477
where:
bonds (distance) C4'-P energy: -30.922
bonds (distance) P-C4' energy: -30.793
flat angles C4'-P-C4' energy: -37.016
flat angles P-C4'-P energy: -23.180
tors. eta vs tors. theta energy: -45.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -536.736782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.736782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.736782 (E_RNA)
where:
Base-Base interactions energy: -350.115
where: short stacking energy: -143.940
Base-Backbone interact. energy: -0.096
local terms energy: -186.525399
where:
bonds (distance) C4'-P energy: -38.502
bonds (distance) P-C4' energy: -35.956
flat angles C4'-P-C4' energy: -40.039
flat angles P-C4'-P energy: -26.259
tors. eta vs tors. theta energy: -45.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -533.081535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.081535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.081535 (E_RNA)
where:
Base-Base interactions energy: -348.193
where: short stacking energy: -167.173
Base-Backbone interact. energy: -0.167
local terms energy: -184.722290
where:
bonds (distance) C4'-P energy: -27.439
bonds (distance) P-C4' energy: -34.010
flat angles C4'-P-C4' energy: -35.235
flat angles P-C4'-P energy: -29.767
tors. eta vs tors. theta energy: -58.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -412.316994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.316994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.316994 (E_RNA)
where:
Base-Base interactions energy: -250.196
where: short stacking energy: -119.541
Base-Backbone interact. energy: -0.168
local terms energy: -161.952706
where:
bonds (distance) C4'-P energy: -28.270
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -40.018
flat angles P-C4'-P energy: -23.860
tors. eta vs tors. theta energy: -37.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -343.509287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.509287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.509287 (E_RNA)
where:
Base-Base interactions energy: -209.111
where: short stacking energy: -96.964
Base-Backbone interact. energy: -1.245
local terms energy: -133.153375
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -29.112
flat angles C4'-P-C4' energy: -27.096
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -25.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -286.554633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.554633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.554633 (E_RNA)
where:
Base-Base interactions energy: -145.428
where: short stacking energy: -71.686
Base-Backbone interact. energy: -0.465
local terms energy: -140.661710
where:
bonds (distance) C4'-P energy: -33.403
bonds (distance) P-C4' energy: -32.152
flat angles C4'-P-C4' energy: -36.460
flat angles P-C4'-P energy: -19.420
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -182.274288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.274288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.274288 (E_RNA)
where:
Base-Base interactions energy: -63.030
where: short stacking energy: -56.630
Base-Backbone interact. energy: -0.799
local terms energy: -118.445230
where:
bonds (distance) C4'-P energy: -28.082
bonds (distance) P-C4' energy: -31.312
flat angles C4'-P-C4' energy: -30.759
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -168.393643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.393643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.393643 (E_RNA)
where:
Base-Base interactions energy: -68.248
where: short stacking energy: -42.686
Base-Backbone interact. energy: -0.808
local terms energy: -99.337944
where:
bonds (distance) C4'-P energy: -34.669
bonds (distance) P-C4' energy: -30.256
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: 2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -189.933249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.933249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.933249 (E_RNA)
where:
Base-Base interactions energy: -75.799
where: short stacking energy: -40.420
Base-Backbone interact. energy: -2.233
local terms energy: -111.901770
where:
bonds (distance) C4'-P energy: -31.157
bonds (distance) P-C4' energy: -34.257
flat angles C4'-P-C4' energy: -32.341
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: 2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -146.516003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.516003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.516003 (E_RNA)
where:
Base-Base interactions energy: -59.784
where: short stacking energy: -49.351
Base-Backbone interact. energy: -0.319
local terms energy: -86.412962
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -34.380
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: 0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -567.141583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.141583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.141583 (E_RNA)
where:
Base-Base interactions energy: -382.872
where: short stacking energy: -158.182
Base-Backbone interact. energy: -0.212
local terms energy: -184.057961
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -37.508
flat angles C4'-P-C4' energy: -39.329
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -54.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -558.229099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.229099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.229099 (E_RNA)
where:
Base-Base interactions energy: -392.642
where: short stacking energy: -136.894
Base-Backbone interact. energy: -2.464
local terms energy: -163.122280
where:
bonds (distance) C4'-P energy: -31.050
bonds (distance) P-C4' energy: -37.306
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -42.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -523.364240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.364240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.364240 (E_RNA)
where:
Base-Base interactions energy: -348.029
where: short stacking energy: -159.267
Base-Backbone interact. energy: -0.082
local terms energy: -175.253493
where:
bonds (distance) C4'-P energy: -34.374
bonds (distance) P-C4' energy: -29.789
flat angles C4'-P-C4' energy: -31.993
flat angles P-C4'-P energy: -26.124
tors. eta vs tors. theta energy: -52.974
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: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -430.455024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.455024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.455024 (E_RNA)
where:
Base-Base interactions energy: -274.505
where: short stacking energy: -125.466
Base-Backbone interact. energy: -0.284
local terms energy: -155.666374
where:
bonds (distance) C4'-P energy: -30.179
bonds (distance) P-C4' energy: -31.362
flat angles C4'-P-C4' energy: -36.224
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -36.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -387.707220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.707220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.707220 (E_RNA)
where:
Base-Base interactions energy: -234.866
where: short stacking energy: -95.954
Base-Backbone interact. energy: -0.597
local terms energy: -152.244245
where:
bonds (distance) C4'-P energy: -27.748
bonds (distance) P-C4' energy: -35.811
flat angles C4'-P-C4' energy: -27.894
flat angles P-C4'-P energy: -29.027
tors. eta vs tors. theta energy: -31.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -265.883351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.883351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.883351 (E_RNA)
where:
Base-Base interactions energy: -136.322
where: short stacking energy: -77.322
Base-Backbone interact. energy: 0.053
local terms energy: -129.614397
where:
bonds (distance) C4'-P energy: -30.303
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -36.833
flat angles P-C4'-P energy: -21.688
tors. eta vs tors. theta energy: -11.391
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: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -186.022425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.022425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.022425 (E_RNA)
where:
Base-Base interactions energy: -74.018
where: short stacking energy: -62.579
Base-Backbone interact. energy: -0.295
local terms energy: -111.709767
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -32.763
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -214.558285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.558285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.558285 (E_RNA)
where:
Base-Base interactions energy: -91.531
where: short stacking energy: -61.851
Base-Backbone interact. energy: -0.274
local terms energy: -122.753097
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -38.552
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -12.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -169.119484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.119484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.119484 (E_RNA)
where:
Base-Base interactions energy: -67.779
where: short stacking energy: -54.975
Base-Backbone interact. energy: 0.755
local terms energy: -102.095880
where:
bonds (distance) C4'-P energy: -26.074
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -31.178
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -167.405064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.405064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.405064 (E_RNA)
where:
Base-Base interactions energy: -85.866
where: short stacking energy: -49.157
Base-Backbone interact. energy: -0.850
local terms energy: -80.688998
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -28.734
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: 6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -554.080039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.080039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.080039 (E_RNA)
where:
Base-Base interactions energy: -362.377
where: short stacking energy: -153.259
Base-Backbone interact. energy: -0.114
local terms energy: -191.588913
where:
bonds (distance) C4'-P energy: -41.720
bonds (distance) P-C4' energy: -36.996
flat angles C4'-P-C4' energy: -38.604
flat angles P-C4'-P energy: -23.815
tors. eta vs tors. theta energy: -50.453
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: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -508.375751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.375751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.375751 (E_RNA)
where:
Base-Base interactions energy: -331.136
where: short stacking energy: -151.210
Base-Backbone interact. energy: -0.150
local terms energy: -177.090437
where:
bonds (distance) C4'-P energy: -29.877
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -39.440
flat angles P-C4'-P energy: -32.933
tors. eta vs tors. theta energy: -49.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -538.091802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.091802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.091802 (E_RNA)
where:
Base-Base interactions energy: -378.207
where: short stacking energy: -134.627
Base-Backbone interact. energy: -0.363
local terms energy: -159.521600
where:
bonds (distance) C4'-P energy: -33.246
bonds (distance) P-C4' energy: -35.876
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -43.024
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: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -409.555778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.555778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.555778 (E_RNA)
where:
Base-Base interactions energy: -246.062
where: short stacking energy: -119.850
Base-Backbone interact. energy: -0.315
local terms energy: -163.178312
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -36.576
flat angles C4'-P-C4' energy: -31.893
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -38.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -394.905448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.905448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.905448 (E_RNA)
where:
Base-Base interactions energy: -258.333
where: short stacking energy: -113.817
Base-Backbone interact. energy: 1.638
local terms energy: -138.210230
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -35.422
flat angles C4'-P-C4' energy: -29.204
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -29.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -290.218267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.218267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.218267 (E_RNA)
where:
Base-Base interactions energy: -158.056
where: short stacking energy: -87.644
Base-Backbone interact. energy: -0.346
local terms energy: -131.815911
where:
bonds (distance) C4'-P energy: -36.315
bonds (distance) P-C4' energy: -31.883
flat angles C4'-P-C4' energy: -29.560
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -179.673205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.673205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.673205 (E_RNA)
where:
Base-Base interactions energy: -65.606
where: short stacking energy: -46.283
Base-Backbone interact. energy: 3.798
local terms energy: -117.864772
where:
bonds (distance) C4'-P energy: -32.228
bonds (distance) P-C4' energy: -30.814
flat angles C4'-P-C4' energy: -33.551
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -178.934527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.934527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.934527 (E_RNA)
where:
Base-Base interactions energy: -72.339
where: short stacking energy: -62.948
Base-Backbone interact. energy: -0.506
local terms energy: -106.089135
where:
bonds (distance) C4'-P energy: -30.085
bonds (distance) P-C4' energy: -29.381
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -160.588579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.588579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.588579 (E_RNA)
where:
Base-Base interactions energy: -48.493
where: short stacking energy: -42.424
Base-Backbone interact. energy: -1.888
local terms energy: -110.207507
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -36.885
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: -4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -154.089441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.089441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.089441 (E_RNA)
where:
Base-Base interactions energy: -60.109
where: short stacking energy: -30.101
Base-Backbone interact. energy: -1.341
local terms energy: -92.639395
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -35.425
flat angles C4'-P-C4' energy: -28.899
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: 7.284
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: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -570.904315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.904315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.904315 (E_RNA)
where:
Base-Base interactions energy: -384.513
where: short stacking energy: -167.363
Base-Backbone interact. energy: -0.239
local terms energy: -186.152048
where:
bonds (distance) C4'-P energy: -35.547
bonds (distance) P-C4' energy: -36.321
flat angles C4'-P-C4' energy: -39.092
flat angles P-C4'-P energy: -21.014
tors. eta vs tors. theta energy: -54.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -534.087264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.087264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.087264 (E_RNA)
where:
Base-Base interactions energy: -345.873
where: short stacking energy: -167.750
Base-Backbone interact. energy: -0.012
local terms energy: -188.202280
where:
bonds (distance) C4'-P energy: -37.720
bonds (distance) P-C4' energy: -37.643
flat angles C4'-P-C4' energy: -37.241
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -53.595
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: 338
Temperature: 1.000000
Total energy: -541.946160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.946160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.946160 (E_RNA)
where:
Base-Base interactions energy: -373.718
where: short stacking energy: -127.556
Base-Backbone interact. energy: -2.583
local terms energy: -165.644467
where:
bonds (distance) C4'-P energy: -31.284
bonds (distance) P-C4' energy: -35.895
flat angles C4'-P-C4' energy: -32.450
flat angles P-C4'-P energy: -23.706
tors. eta vs tors. theta energy: -42.309
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: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -416.958081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.958081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.958081 (E_RNA)
where:
Base-Base interactions energy: -252.694
where: short stacking energy: -122.854
Base-Backbone interact. energy: -0.244
local terms energy: -164.020287
where:
bonds (distance) C4'-P energy: -34.224
bonds (distance) P-C4' energy: -29.266
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -29.711
tors. eta vs tors. theta energy: -38.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -356.830339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.830339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.830339 (E_RNA)
where:
Base-Base interactions energy: -212.821
where: short stacking energy: -87.242
Base-Backbone interact. energy: -2.100
local terms energy: -141.909567
where:
bonds (distance) C4'-P energy: -32.907
bonds (distance) P-C4' energy: -32.499
flat angles C4'-P-C4' energy: -31.604
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -29.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -305.470450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.470450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.470450 (E_RNA)
where:
Base-Base interactions energy: -161.690
where: short stacking energy: -71.008
Base-Backbone interact. energy: -0.731
local terms energy: -143.049534
where:
bonds (distance) C4'-P energy: -33.166
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -32.413
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -189.946159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.946159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.946159 (E_RNA)
where:
Base-Base interactions energy: -74.838
where: short stacking energy: -42.364
Base-Backbone interact. energy: -1.914
local terms energy: -113.194346
where:
bonds (distance) C4'-P energy: -29.310
bonds (distance) P-C4' energy: -40.551
flat angles C4'-P-C4' energy: -30.643
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: 0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -167.230492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.230492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.230492 (E_RNA)
where:
Base-Base interactions energy: -49.300
where: short stacking energy: -45.680
Base-Backbone interact. energy: -0.652
local terms energy: -117.278534
where:
bonds (distance) C4'-P energy: -32.616
bonds (distance) P-C4' energy: -28.869
flat angles C4'-P-C4' energy: -24.915
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -156.840418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.840418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.840418 (E_RNA)
where:
Base-Base interactions energy: -56.695
where: short stacking energy: -36.354
Base-Backbone interact. energy: -0.493
local terms energy: -99.652228
where:
bonds (distance) C4'-P energy: -30.315
bonds (distance) P-C4' energy: -30.133
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: 6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -143.436243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.436243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.436243 (E_RNA)
where:
Base-Base interactions energy: -33.737
where: short stacking energy: -26.733
Base-Backbone interact. energy: 0.925
local terms energy: -110.624485
where:
bonds (distance) C4'-P energy: -29.982
bonds (distance) P-C4' energy: -32.573
flat angles C4'-P-C4' energy: -28.038
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -1.796
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: 339
Temperature: 0.900000
Total energy: -562.060612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.060612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.060612 (E_RNA)
where:
Base-Base interactions energy: -374.347
where: short stacking energy: -151.063
Base-Backbone interact. energy: -0.040
local terms energy: -187.673942
where:
bonds (distance) C4'-P energy: -35.618
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -39.697
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: -52.352
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: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -517.634777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.634777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.634777 (E_RNA)
where:
Base-Base interactions energy: -334.813
where: short stacking energy: -169.766
Base-Backbone interact. energy: -0.059
local terms energy: -182.763237
where:
bonds (distance) C4'-P energy: -27.564
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -38.583
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: -54.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -530.317651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.317651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.317651 (E_RNA)
where:
Base-Base interactions energy: -370.286
where: short stacking energy: -136.405
Base-Backbone interact. energy: -1.555
local terms energy: -158.476820
where:
bonds (distance) C4'-P energy: -34.813
bonds (distance) P-C4' energy: -30.547
flat angles C4'-P-C4' energy: -34.996
flat angles P-C4'-P energy: -20.136
tors. eta vs tors. theta energy: -37.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -391.674498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.674498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.674498 (E_RNA)
where:
Base-Base interactions energy: -253.479
where: short stacking energy: -136.734
Base-Backbone interact. energy: -0.523
local terms energy: -137.672070
where:
bonds (distance) C4'-P energy: -26.534
bonds (distance) P-C4' energy: -31.722
flat angles C4'-P-C4' energy: -28.841
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -43.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -373.372107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.372107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.372107 (E_RNA)
where:
Base-Base interactions energy: -236.266
where: short stacking energy: -104.828
Base-Backbone interact. energy: 4.044
local terms energy: -141.149501
where:
bonds (distance) C4'-P energy: -34.777
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -32.085
flat angles P-C4'-P energy: -26.668
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: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -298.670700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.670700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.670700 (E_RNA)
where:
Base-Base interactions energy: -152.763
where: short stacking energy: -87.799
Base-Backbone interact. energy: -0.477
local terms energy: -145.430817
where:
bonds (distance) C4'-P energy: -28.682
bonds (distance) P-C4' energy: -36.330
flat angles C4'-P-C4' energy: -36.308
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -23.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -176.634155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.634155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.634155 (E_RNA)
where:
Base-Base interactions energy: -67.342
where: short stacking energy: -38.322
Base-Backbone interact. energy: -0.092
local terms energy: -109.199812
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -31.021
flat angles C4'-P-C4' energy: -28.678
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -188.126115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.126115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.126115 (E_RNA)
where:
Base-Base interactions energy: -67.770
where: short stacking energy: -61.720
Base-Backbone interact. energy: -1.114
local terms energy: -119.241721
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -40.217
flat angles C4'-P-C4' energy: -27.253
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -164.949368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.949368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.949368 (E_RNA)
where:
Base-Base interactions energy: -67.464
where: short stacking energy: -40.128
Base-Backbone interact. energy: -0.798
local terms energy: -96.687508
where:
bonds (distance) C4'-P energy: -30.601
bonds (distance) P-C4' energy: -24.816
flat angles C4'-P-C4' energy: -25.487
flat angles P-C4'-P energy: -16.697
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: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -145.161621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.161621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.161621 (E_RNA)
where:
Base-Base interactions energy: -46.445
where: short stacking energy: -40.433
Base-Backbone interact. energy: -0.945
local terms energy: -97.771421
where:
bonds (distance) C4'-P energy: -30.927
bonds (distance) P-C4' energy: -34.704
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: 4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -576.336563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.336563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.336563 (E_RNA)
where:
Base-Base interactions energy: -381.312
where: short stacking energy: -162.503
Base-Backbone interact. energy: -0.982
local terms energy: -194.042162
where:
bonds (distance) C4'-P energy: -29.681
bonds (distance) P-C4' energy: -40.145
flat angles C4'-P-C4' energy: -41.338
flat angles P-C4'-P energy: -31.586
tors. eta vs tors. theta energy: -51.292
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: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -520.879426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.879426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.879426 (E_RNA)
where:
Base-Base interactions energy: -344.702
where: short stacking energy: -171.354
Base-Backbone interact. energy: -0.087
local terms energy: -176.090775
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -36.203
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -21.778
tors. eta vs tors. theta energy: -55.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -519.162631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.162631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.162631 (E_RNA)
where:
Base-Base interactions energy: -354.728
where: short stacking energy: -141.839
Base-Backbone interact. energy: -1.355
local terms energy: -163.079856
where:
bonds (distance) C4'-P energy: -27.965
bonds (distance) P-C4' energy: -36.284
flat angles C4'-P-C4' energy: -36.670
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -38.566
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: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -428.742143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.742143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.742143 (E_RNA)
where:
Base-Base interactions energy: -256.500
where: short stacking energy: -139.808
Base-Backbone interact. energy: -0.269
local terms energy: -171.973184
where:
bonds (distance) C4'-P energy: -33.090
bonds (distance) P-C4' energy: -38.086
flat angles C4'-P-C4' energy: -33.070
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -44.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -359.174698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.174698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.174698 (E_RNA)
where:
Base-Base interactions energy: -234.599
where: short stacking energy: -94.178
Base-Backbone interact. energy: 1.355
local terms energy: -125.931096
where:
bonds (distance) C4'-P energy: -29.264
bonds (distance) P-C4' energy: -32.420
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -27.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -275.077066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.077066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.077066 (E_RNA)
where:
Base-Base interactions energy: -132.006
where: short stacking energy: -80.697
Base-Backbone interact. energy: -0.355
local terms energy: -142.716596
where:
bonds (distance) C4'-P energy: -35.371
bonds (distance) P-C4' energy: -36.634
flat angles C4'-P-C4' energy: -32.403
flat angles P-C4'-P energy: -22.757
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -178.984918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.984918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.984918 (E_RNA)
where:
Base-Base interactions energy: -81.080
where: short stacking energy: -58.101
Base-Backbone interact. energy: 0.269
local terms energy: -98.173330
where:
bonds (distance) C4'-P energy: -31.255
bonds (distance) P-C4' energy: -31.799
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -7.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -184.546566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.546566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.546566 (E_RNA)
where:
Base-Base interactions energy: -72.500
where: short stacking energy: -49.387
Base-Backbone interact. energy: -0.462
local terms energy: -111.584708
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -25.753
flat angles P-C4'-P energy: -18.751
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -157.459802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.459802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.459802 (E_RNA)
where:
Base-Base interactions energy: -51.949
where: short stacking energy: -41.048
Base-Backbone interact. energy: -2.050
local terms energy: -103.460689
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -33.118
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -15.345
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: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -150.172345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.172345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.172345 (E_RNA)
where:
Base-Base interactions energy: -62.111
where: short stacking energy: -48.747
Base-Backbone interact. energy: 0.044
local terms energy: -88.105707
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -563.184835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.184835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.184835 (E_RNA)
where:
Base-Base interactions energy: -373.534
where: short stacking energy: -156.560
Base-Backbone interact. energy: -0.079
local terms energy: -189.571567
where:
bonds (distance) C4'-P energy: -38.699
bonds (distance) P-C4' energy: -35.899
flat angles C4'-P-C4' energy: -38.421
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -50.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -517.494771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.494771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.494771 (E_RNA)
where:
Base-Base interactions energy: -363.918
where: short stacking energy: -130.970
Base-Backbone interact. energy: 0.514
local terms energy: -154.091050
where:
bonds (distance) C4'-P energy: -32.703
bonds (distance) P-C4' energy: -30.702
flat angles C4'-P-C4' energy: -30.259
flat angles P-C4'-P energy: -23.751
tors. eta vs tors. theta energy: -36.676
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: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -509.721289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.721289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.721289 (E_RNA)
where:
Base-Base interactions energy: -326.219
where: short stacking energy: -157.933
Base-Backbone interact. energy: 0.081
local terms energy: -183.583035
where:
bonds (distance) C4'-P energy: -32.803
bonds (distance) P-C4' energy: -38.367
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -29.442
tors. eta vs tors. theta energy: -51.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -416.876363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.876363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.876363 (E_RNA)
where:
Base-Base interactions energy: -261.679
where: short stacking energy: -127.081
Base-Backbone interact. energy: -0.386
local terms energy: -154.811486
where:
bonds (distance) C4'-P energy: -33.994
bonds (distance) P-C4' energy: -29.370
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -23.479
tors. eta vs tors. theta energy: -36.972
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: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -375.275809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.275809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.275809 (E_RNA)
where:
Base-Base interactions energy: -236.484
where: short stacking energy: -94.864
Base-Backbone interact. energy: -0.968
local terms energy: -137.823506
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -34.388
flat angles C4'-P-C4' energy: -25.985
flat angles P-C4'-P energy: -28.132
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -276.035401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.035401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.035401 (E_RNA)
where:
Base-Base interactions energy: -155.716
where: short stacking energy: -88.115
Base-Backbone interact. energy: -0.253
local terms energy: -120.067096
where:
bonds (distance) C4'-P energy: -28.269
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -27.184
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -225.196987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.196987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.196987 (E_RNA)
where:
Base-Base interactions energy: -102.769
where: short stacking energy: -69.939
Base-Backbone interact. energy: -0.563
local terms energy: -121.865124
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -22.189
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -172.351651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.351651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.351651 (E_RNA)
where:
Base-Base interactions energy: -71.157
where: short stacking energy: -48.544
Base-Backbone interact. energy: 0.096
local terms energy: -101.291001
where:
bonds (distance) C4'-P energy: -32.194
bonds (distance) P-C4' energy: -36.827
flat angles C4'-P-C4' energy: -27.548
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: 4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -157.971542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.971542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.971542 (E_RNA)
where:
Base-Base interactions energy: -48.756
where: short stacking energy: -34.832
Base-Backbone interact. energy: -0.838
local terms energy: -108.377059
where:
bonds (distance) C4'-P energy: -32.197
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -32.656
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -1.943
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: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -190.059026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.059026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.059026 (E_RNA)
where:
Base-Base interactions energy: -90.868
where: short stacking energy: -49.463
Base-Backbone interact. energy: -0.710
local terms energy: -98.481120
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -35.056
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -15.107
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: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -560.485805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.485805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.485805 (E_RNA)
where:
Base-Base interactions energy: -377.570
where: short stacking energy: -160.238
Base-Backbone interact. energy: -0.729
local terms energy: -182.187168
where:
bonds (distance) C4'-P energy: -33.925
bonds (distance) P-C4' energy: -31.255
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -53.245
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: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -556.710880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.710880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.710880 (E_RNA)
where:
Base-Base interactions energy: -387.131
where: short stacking energy: -151.034
Base-Backbone interact. energy: -2.057
local terms energy: -167.522792
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -33.204
flat angles C4'-P-C4' energy: -42.461
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -43.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -511.516177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.516177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.516177 (E_RNA)
where:
Base-Base interactions energy: -344.947
where: short stacking energy: -164.513
Base-Backbone interact. energy: -0.309
local terms energy: -166.259860
where:
bonds (distance) C4'-P energy: -27.732
bonds (distance) P-C4' energy: -26.879
flat angles C4'-P-C4' energy: -32.579
flat angles P-C4'-P energy: -29.702
tors. eta vs tors. theta energy: -49.368
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: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -451.108692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.108692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.108692 (E_RNA)
where:
Base-Base interactions energy: -283.533
where: short stacking energy: -128.153
Base-Backbone interact. energy: -0.655
local terms energy: -166.920681
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -34.841
flat angles C4'-P-C4' energy: -41.234
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -38.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -379.148773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.148773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.148773 (E_RNA)
where:
Base-Base interactions energy: -228.300
where: short stacking energy: -96.577
Base-Backbone interact. energy: 0.610
local terms energy: -151.459189
where:
bonds (distance) C4'-P energy: -35.437
bonds (distance) P-C4' energy: -35.637
flat angles C4'-P-C4' energy: -33.283
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -27.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -254.045339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.045339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.045339 (E_RNA)
where:
Base-Base interactions energy: -142.080
where: short stacking energy: -77.108
Base-Backbone interact. energy: 0.003
local terms energy: -111.968741
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -38.092
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -16.659
tors. eta vs tors. theta energy: -8.244
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: 342
Temperature: 1.200000
Total energy: -178.064367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.064367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.064367 (E_RNA)
where:
Base-Base interactions energy: -63.666
where: short stacking energy: -56.891
Base-Backbone interact. energy: 0.272
local terms energy: -114.670572
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -31.596
flat angles C4'-P-C4' energy: -31.269
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -229.188599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.188599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.188599 (E_RNA)
where:
Base-Base interactions energy: -118.304
where: short stacking energy: -50.963
Base-Backbone interact. energy: -0.719
local terms energy: -110.165480
where:
bonds (distance) C4'-P energy: -29.353
bonds (distance) P-C4' energy: -33.653
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -19.596
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -195.058641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.058641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.058641 (E_RNA)
where:
Base-Base interactions energy: -89.389
where: short stacking energy: -48.027
Base-Backbone interact. energy: -0.628
local terms energy: -105.041093
where:
bonds (distance) C4'-P energy: -27.269
bonds (distance) P-C4' energy: -37.416
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: 2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -163.098172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.098172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.098172 (E_RNA)
where:
Base-Base interactions energy: -61.352
where: short stacking energy: -40.168
Base-Backbone interact. energy: -0.157
local terms energy: -101.589074
where:
bonds (distance) C4'-P energy: -30.425
bonds (distance) P-C4' energy: -31.663
flat angles C4'-P-C4' energy: -27.142
flat angles P-C4'-P energy: -15.179
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: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -561.856184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.856184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.856184 (E_RNA)
where:
Base-Base interactions energy: -386.948
where: short stacking energy: -154.233
Base-Backbone interact. energy: 0.387
local terms energy: -175.295460
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -33.748
flat angles C4'-P-C4' energy: -37.763
flat angles P-C4'-P energy: -26.604
tors. eta vs tors. theta energy: -49.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -559.978059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.978059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.978059 (E_RNA)
where:
Base-Base interactions energy: -386.610
where: short stacking energy: -138.940
Base-Backbone interact. energy: -2.236
local terms energy: -171.132392
where:
bonds (distance) C4'-P energy: -35.527
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -36.875
flat angles P-C4'-P energy: -20.643
tors. eta vs tors. theta energy: -42.707
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: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -505.286372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.286372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.286372 (E_RNA)
where:
Base-Base interactions energy: -324.588
where: short stacking energy: -139.002
Base-Backbone interact. energy: 0.489
local terms energy: -181.187623
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -38.556
flat angles C4'-P-C4' energy: -39.290
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -47.511
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: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -436.932508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.932508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.932508 (E_RNA)
where:
Base-Base interactions energy: -277.955
where: short stacking energy: -131.513
Base-Backbone interact. energy: 2.337
local terms energy: -161.314558
where:
bonds (distance) C4'-P energy: -34.961
bonds (distance) P-C4' energy: -37.142
flat angles C4'-P-C4' energy: -35.479
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -34.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -338.901743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.901743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.901743 (E_RNA)
where:
Base-Base interactions energy: -207.210
where: short stacking energy: -99.945
Base-Backbone interact. energy: -0.500
local terms energy: -131.192281
where:
bonds (distance) C4'-P energy: -33.647
bonds (distance) P-C4' energy: -30.902
flat angles C4'-P-C4' energy: -32.958
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -282.726135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.726135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.726135 (E_RNA)
where:
Base-Base interactions energy: -146.463
where: short stacking energy: -84.138
Base-Backbone interact. energy: 0.432
local terms energy: -136.695215
where:
bonds (distance) C4'-P energy: -31.325
bonds (distance) P-C4' energy: -38.377
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -23.173
tors. eta vs tors. theta energy: -20.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -194.250518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.250518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.250518 (E_RNA)
where:
Base-Base interactions energy: -67.550
where: short stacking energy: -60.479
Base-Backbone interact. energy: -0.234
local terms energy: -126.465898
where:
bonds (distance) C4'-P energy: -31.921
bonds (distance) P-C4' energy: -32.698
flat angles C4'-P-C4' energy: -27.492
flat angles P-C4'-P energy: -26.249
tors. eta vs tors. theta energy: -8.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -186.283849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.283849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.283849 (E_RNA)
where:
Base-Base interactions energy: -92.363
where: short stacking energy: -47.248
Base-Backbone interact. energy: 1.685
local terms energy: -95.605800
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -31.405
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -150.092546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.092546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.092546 (E_RNA)
where:
Base-Base interactions energy: -60.596
where: short stacking energy: -38.310
Base-Backbone interact. energy: -0.488
local terms energy: -89.007940
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -33.348
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: 6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -143.656883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.656883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.656883 (E_RNA)
where:
Base-Base interactions energy: -37.256
where: short stacking energy: -30.471
Base-Backbone interact. energy: 0.370
local terms energy: -106.770879
where:
bonds (distance) C4'-P energy: -32.129
bonds (distance) P-C4' energy: -34.842
flat angles C4'-P-C4' energy: -30.815
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: 4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -569.996826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.996826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.996826 (E_RNA)
where:
Base-Base interactions energy: -412.703
where: short stacking energy: -153.061
Base-Backbone interact. energy: -0.984
local terms energy: -156.309570
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -32.090
flat angles C4'-P-C4' energy: -35.943
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -40.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -554.570221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.570221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.570221 (E_RNA)
where:
Base-Base interactions energy: -366.147
where: short stacking energy: -158.163
Base-Backbone interact. energy: -2.660
local terms energy: -185.762439
where:
bonds (distance) C4'-P energy: -38.320
bonds (distance) P-C4' energy: -29.415
flat angles C4'-P-C4' energy: -35.804
flat angles P-C4'-P energy: -28.395
tors. eta vs tors. theta energy: -53.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -517.245378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.245378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.245378 (E_RNA)
where:
Base-Base interactions energy: -337.103
where: short stacking energy: -147.403
Base-Backbone interact. energy: -0.649
local terms energy: -179.493363
where:
bonds (distance) C4'-P energy: -33.554
bonds (distance) P-C4' energy: -36.998
flat angles C4'-P-C4' energy: -31.245
flat angles P-C4'-P energy: -27.018
tors. eta vs tors. theta energy: -50.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -390.052752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.052752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.052752 (E_RNA)
where:
Base-Base interactions energy: -254.527
where: short stacking energy: -122.118
Base-Backbone interact. energy: -1.113
local terms energy: -134.412942
where:
bonds (distance) C4'-P energy: -29.289
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -27.768
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -376.626205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.626205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.626205 (E_RNA)
where:
Base-Base interactions energy: -226.967
where: short stacking energy: -97.996
Base-Backbone interact. energy: -1.663
local terms energy: -147.995984
where:
bonds (distance) C4'-P energy: -35.363
bonds (distance) P-C4' energy: -39.285
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -22.062
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -308.680536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.680536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.680536 (E_RNA)
where:
Base-Base interactions energy: -167.395
where: short stacking energy: -80.285
Base-Backbone interact. energy: -0.084
local terms energy: -141.201720
where:
bonds (distance) C4'-P energy: -33.740
bonds (distance) P-C4' energy: -37.734
flat angles C4'-P-C4' energy: -33.275
flat angles P-C4'-P energy: -25.415
tors. eta vs tors. theta energy: -11.037
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: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -192.781843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.781843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.781843 (E_RNA)
where:
Base-Base interactions energy: -60.954
where: short stacking energy: -49.769
Base-Backbone interact. energy: -0.231
local terms energy: -131.596930
where:
bonds (distance) C4'-P energy: -29.782
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -36.915
flat angles P-C4'-P energy: -23.993
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -190.047466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.047466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.047466 (E_RNA)
where:
Base-Base interactions energy: -62.587
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.362
local terms energy: -127.098722
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -34.555
flat angles C4'-P-C4' energy: -31.050
flat angles P-C4'-P energy: -20.340
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -154.161848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.161848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.161848 (E_RNA)
where:
Base-Base interactions energy: -63.501
where: short stacking energy: -42.335
Base-Backbone interact. energy: 0.098
local terms energy: -90.758822
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -35.020
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -19.838
tors. eta vs tors. theta energy: 2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -144.112012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.112012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.112012 (E_RNA)
where:
Base-Base interactions energy: -40.881
where: short stacking energy: -36.821
Base-Backbone interact. energy: -1.194
local terms energy: -102.037397
where:
bonds (distance) C4'-P energy: -29.360
bonds (distance) P-C4' energy: -36.170
flat angles C4'-P-C4' energy: -25.447
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: 2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -550.905348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.905348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.905348 (E_RNA)
where:
Base-Base interactions energy: -393.560
where: short stacking energy: -145.775
Base-Backbone interact. energy: -2.167
local terms energy: -155.178315
where:
bonds (distance) C4'-P energy: -33.004
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -46.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -540.963500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.963500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.963500 (E_RNA)
where:
Base-Base interactions energy: -345.719
where: short stacking energy: -163.797
Base-Backbone interact. energy: -0.161
local terms energy: -195.083273
where:
bonds (distance) C4'-P energy: -38.205
bonds (distance) P-C4' energy: -35.828
flat angles C4'-P-C4' energy: -37.697
flat angles P-C4'-P energy: -29.757
tors. eta vs tors. theta energy: -53.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -537.291859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.291859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.291859 (E_RNA)
where:
Base-Base interactions energy: -371.049
where: short stacking energy: -147.155
Base-Backbone interact. energy: 0.165
local terms energy: -166.408432
where:
bonds (distance) C4'-P energy: -34.797
bonds (distance) P-C4' energy: -36.010
flat angles C4'-P-C4' energy: -32.247
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -44.884
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: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -409.009044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.009044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.009044 (E_RNA)
where:
Base-Base interactions energy: -253.519
where: short stacking energy: -126.162
Base-Backbone interact. energy: -0.259
local terms energy: -155.231634
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -30.796
flat angles C4'-P-C4' energy: -35.052
flat angles P-C4'-P energy: -27.442
tors. eta vs tors. theta energy: -31.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -390.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.894266 (E_RNA)
where:
Base-Base interactions energy: -247.258
where: short stacking energy: -105.835
Base-Backbone interact. energy: -0.632
local terms energy: -143.004306
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -36.077
flat angles C4'-P-C4' energy: -35.730
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -25.486
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: 345
Temperature: 1.150000
Total energy: -309.857204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.857204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.857204 (E_RNA)
where:
Base-Base interactions energy: -167.449
where: short stacking energy: -86.323
Base-Backbone interact. energy: -1.237
local terms energy: -141.171700
where:
bonds (distance) C4'-P energy: -36.314
bonds (distance) P-C4' energy: -34.658
flat angles C4'-P-C4' energy: -33.720
flat angles P-C4'-P energy: -17.934
tors. eta vs tors. theta energy: -18.545
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: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -181.490902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.490902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.490902 (E_RNA)
where:
Base-Base interactions energy: -62.497
where: short stacking energy: -50.194
Base-Backbone interact. energy: -0.170
local terms energy: -118.824268
where:
bonds (distance) C4'-P energy: -32.242
bonds (distance) P-C4' energy: -33.034
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -18.631
tors. eta vs tors. theta energy: -6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -164.457835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.457835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.457835 (E_RNA)
where:
Base-Base interactions energy: -63.838
where: short stacking energy: -38.319
Base-Backbone interact. energy: -0.084
local terms energy: -100.536357
where:
bonds (distance) C4'-P energy: -34.612
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -28.488
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: 4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -177.151339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.151339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.151339 (E_RNA)
where:
Base-Base interactions energy: -78.981
where: short stacking energy: -57.154
Base-Backbone interact. energy: 0.367
local terms energy: -98.537219
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -31.557
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -154.665122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.665122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.665122 (E_RNA)
where:
Base-Base interactions energy: -58.820
where: short stacking energy: -45.992
Base-Backbone interact. energy: -1.173
local terms energy: -94.672755
where:
bonds (distance) C4'-P energy: -30.605
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -25.656
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -552.638036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.638036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.638036 (E_RNA)
where:
Base-Base interactions energy: -370.988
where: short stacking energy: -135.868
Base-Backbone interact. energy: -1.512
local terms energy: -180.137281
where:
bonds (distance) C4'-P energy: -38.565
bonds (distance) P-C4' energy: -35.991
flat angles C4'-P-C4' energy: -33.782
flat angles P-C4'-P energy: -27.487
tors. eta vs tors. theta energy: -44.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -539.259117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.259117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.259117 (E_RNA)
where:
Base-Base interactions energy: -365.347
where: short stacking energy: -162.642
Base-Backbone interact. energy: -0.120
local terms energy: -173.792531
where:
bonds (distance) C4'-P energy: -37.201
bonds (distance) P-C4' energy: -30.452
flat angles C4'-P-C4' energy: -34.414
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -49.674
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: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -541.482753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.482753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.482753 (E_RNA)
where:
Base-Base interactions energy: -367.446
where: short stacking energy: -159.262
Base-Backbone interact. energy: 0.077
local terms energy: -174.113928
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -28.357
flat angles C4'-P-C4' energy: -39.129
flat angles P-C4'-P energy: -25.790
tors. eta vs tors. theta energy: -54.959
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: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -399.063262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.063262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.063262 (E_RNA)
where:
Base-Base interactions energy: -236.562
where: short stacking energy: -112.961
Base-Backbone interact. energy: 2.103
local terms energy: -164.604233
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -37.650
flat angles C4'-P-C4' energy: -36.251
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -34.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -383.042649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.042649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.042649 (E_RNA)
where:
Base-Base interactions energy: -240.787
where: short stacking energy: -103.274
Base-Backbone interact. energy: -0.455
local terms energy: -141.800415
where:
bonds (distance) C4'-P energy: -26.651
bonds (distance) P-C4' energy: -34.233
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: -29.023
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: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -290.644827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.644827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.644827 (E_RNA)
where:
Base-Base interactions energy: -151.665
where: short stacking energy: -75.057
Base-Backbone interact. energy: -0.289
local terms energy: -138.690183
where:
bonds (distance) C4'-P energy: -33.297
bonds (distance) P-C4' energy: -33.062
flat angles C4'-P-C4' energy: -33.478
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -205.909492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.909492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.909492 (E_RNA)
where:
Base-Base interactions energy: -83.021
where: short stacking energy: -59.469
Base-Backbone interact. energy: -0.886
local terms energy: -122.002635
where:
bonds (distance) C4'-P energy: -31.341
bonds (distance) P-C4' energy: -33.920
flat angles C4'-P-C4' energy: -28.055
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -10.531
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: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -204.011383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.011383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.011383 (E_RNA)
where:
Base-Base interactions energy: -85.284
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.309
local terms energy: -118.418081
where:
bonds (distance) C4'-P energy: -30.887
bonds (distance) P-C4' energy: -34.426
flat angles C4'-P-C4' energy: -28.338
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -157.200876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.200876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.200876 (E_RNA)
where:
Base-Base interactions energy: -49.812
where: short stacking energy: -42.414
Base-Backbone interact. energy: -0.049
local terms energy: -107.339736
where:
bonds (distance) C4'-P energy: -29.480
bonds (distance) P-C4' energy: -29.704
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -25.096
tors. eta vs tors. theta energy: 1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -162.139697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.139697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.139697 (E_RNA)
where:
Base-Base interactions energy: -51.966
where: short stacking energy: -44.780
Base-Backbone interact. energy: 2.430
local terms energy: -112.602812
where:
bonds (distance) C4'-P energy: -31.324
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -30.291
flat angles P-C4'-P energy: -22.487
tors. eta vs tors. theta energy: 0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -563.742150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.742150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.742150 (E_RNA)
where:
Base-Base interactions energy: -401.092
where: short stacking energy: -148.664
Base-Backbone interact. energy: 2.107
local terms energy: -164.757099
where:
bonds (distance) C4'-P energy: -27.044
bonds (distance) P-C4' energy: -32.420
flat angles C4'-P-C4' energy: -34.730
flat angles P-C4'-P energy: -24.893
tors. eta vs tors. theta energy: -45.670
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: 2, replica: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -542.545536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.545536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.545536 (E_RNA)
where:
Base-Base interactions energy: -372.797
where: short stacking energy: -132.865
Base-Backbone interact. energy: -0.128
local terms energy: -169.620872
where:
bonds (distance) C4'-P energy: -32.928
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -32.987
flat angles P-C4'-P energy: -26.086
tors. eta vs tors. theta energy: -45.000
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: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -528.439199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.439199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.439199 (E_RNA)
where:
Base-Base interactions energy: -337.303
where: short stacking energy: -152.999
Base-Backbone interact. energy: -0.082
local terms energy: -191.053923
where:
bonds (distance) C4'-P energy: -29.915
bonds (distance) P-C4' energy: -39.354
flat angles C4'-P-C4' energy: -38.554
flat angles P-C4'-P energy: -30.211
tors. eta vs tors. theta energy: -53.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -431.344155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.344155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.344155 (E_RNA)
where:
Base-Base interactions energy: -268.981
where: short stacking energy: -137.688
Base-Backbone interact. energy: -0.100
local terms energy: -162.262807
where:
bonds (distance) C4'-P energy: -33.785
bonds (distance) P-C4' energy: -37.349
flat angles C4'-P-C4' energy: -35.963
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -39.734
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: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -403.583827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.583827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.583827 (E_RNA)
where:
Base-Base interactions energy: -273.514
where: short stacking energy: -113.765
Base-Backbone interact. energy: -0.665
local terms energy: -129.404449
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -30.178
flat angles C4'-P-C4' energy: -38.982
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -25.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -290.512804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.512804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.512804 (E_RNA)
where:
Base-Base interactions energy: -150.979
where: short stacking energy: -78.605
Base-Backbone interact. energy: 0.935
local terms energy: -140.468848
where:
bonds (distance) C4'-P energy: -34.279
bonds (distance) P-C4' energy: -32.616
flat angles C4'-P-C4' energy: -31.897
flat angles P-C4'-P energy: -30.045
tors. eta vs tors. theta energy: -11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -176.335598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.335598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.335598 (E_RNA)
where:
Base-Base interactions energy: -66.427
where: short stacking energy: -38.791
Base-Backbone interact. energy: 1.627
local terms energy: -111.534779
where:
bonds (distance) C4'-P energy: -28.963
bonds (distance) P-C4' energy: -35.920
flat angles C4'-P-C4' energy: -28.390
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -177.761568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.761568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.761568 (E_RNA)
where:
Base-Base interactions energy: -87.543
where: short stacking energy: -48.839
Base-Backbone interact. energy: -2.058
local terms energy: -88.160547
where:
bonds (distance) C4'-P energy: -28.211
bonds (distance) P-C4' energy: -26.877
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: 4.803
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: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -165.182369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.182369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.182369 (E_RNA)
where:
Base-Base interactions energy: -56.773
where: short stacking energy: -44.124
Base-Backbone interact. energy: 0.158
local terms energy: -108.568301
where:
bonds (distance) C4'-P energy: -23.002
bonds (distance) P-C4' energy: -35.284
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: 4.341
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: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -150.030766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.030766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.030766 (E_RNA)
where:
Base-Base interactions energy: -71.646
where: short stacking energy: -39.230
Base-Backbone interact. energy: -1.355
local terms energy: -77.029851
where:
bonds (distance) C4'-P energy: -27.718
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: 15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -573.471150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.471150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.471150 (E_RNA)
where:
Base-Base interactions energy: -401.628
where: short stacking energy: -144.022
Base-Backbone interact. energy: -0.956
local terms energy: -170.886930
where:
bonds (distance) C4'-P energy: -39.295
bonds (distance) P-C4' energy: -38.325
flat angles C4'-P-C4' energy: -30.531
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -43.151
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: 348
Temperature: 0.950000
Total energy: -536.495991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.495991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.495991 (E_RNA)
where:
Base-Base interactions energy: -360.537
where: short stacking energy: -159.830
Base-Backbone interact. energy: -0.388
local terms energy: -175.571389
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -35.184
flat angles C4'-P-C4' energy: -38.686
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -47.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -508.197848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.197848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.197848 (E_RNA)
where:
Base-Base interactions energy: -332.779
where: short stacking energy: -142.675
Base-Backbone interact. energy: -0.170
local terms energy: -175.249340
where:
bonds (distance) C4'-P energy: -30.286
bonds (distance) P-C4' energy: -35.257
flat angles C4'-P-C4' energy: -39.802
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -46.475
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: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -397.794559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.794559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.794559 (E_RNA)
where:
Base-Base interactions energy: -247.901
where: short stacking energy: -127.705
Base-Backbone interact. energy: -0.358
local terms energy: -149.535731
where:
bonds (distance) C4'-P energy: -34.528
bonds (distance) P-C4' energy: -30.035
flat angles C4'-P-C4' energy: -31.166
flat angles P-C4'-P energy: -19.454
tors. eta vs tors. theta energy: -34.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -433.356480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.356480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.356480 (E_RNA)
where:
Base-Base interactions energy: -289.514
where: short stacking energy: -103.800
Base-Backbone interact. energy: -0.841
local terms energy: -143.001056
where:
bonds (distance) C4'-P energy: -38.061
bonds (distance) P-C4' energy: -29.317
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -25.052
tors. eta vs tors. theta energy: -25.069
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: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -270.740182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.740182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.740182 (E_RNA)
where:
Base-Base interactions energy: -158.384
where: short stacking energy: -59.480
Base-Backbone interact. energy: 0.421
local terms energy: -112.777353
where:
bonds (distance) C4'-P energy: -40.393
bonds (distance) P-C4' energy: -36.755
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -235.993206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.993206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.993206 (E_RNA)
where:
Base-Base interactions energy: -113.391
where: short stacking energy: -65.802
Base-Backbone interact. energy: -1.223
local terms energy: -121.378591
where:
bonds (distance) C4'-P energy: -35.571
bonds (distance) P-C4' energy: -25.151
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -170.139452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.139452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.139452 (E_RNA)
where:
Base-Base interactions energy: -73.200
where: short stacking energy: -49.215
Base-Backbone interact. energy: -0.510
local terms energy: -96.429920
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -27.214
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: 0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -154.706416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.706416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.706416 (E_RNA)
where:
Base-Base interactions energy: -66.694
where: short stacking energy: -30.193
Base-Backbone interact. energy: -1.180
local terms energy: -86.832846
where:
bonds (distance) C4'-P energy: -25.118
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -30.340
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: 6.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -148.868522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.868522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.868522 (E_RNA)
where:
Base-Base interactions energy: -56.853
where: short stacking energy: -48.768
Base-Backbone interact. energy: -0.435
local terms energy: -91.581208
where:
bonds (distance) C4'-P energy: -29.532
bonds (distance) P-C4' energy: -36.224
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: 8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -558.534967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.534967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.534967 (E_RNA)
where:
Base-Base interactions energy: -385.374
where: short stacking energy: -144.557
Base-Backbone interact. energy: -3.537
local terms energy: -169.624070
where:
bonds (distance) C4'-P energy: -32.608
bonds (distance) P-C4' energy: -34.117
flat angles C4'-P-C4' energy: -33.954
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -43.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -524.844332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.844332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.844332 (E_RNA)
where:
Base-Base interactions energy: -347.027
where: short stacking energy: -161.802
Base-Backbone interact. energy: -0.218
local terms energy: -177.598748
where:
bonds (distance) C4'-P energy: -25.498
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -37.986
flat angles P-C4'-P energy: -29.700
tors. eta vs tors. theta energy: -51.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -517.926425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.926425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.926425 (E_RNA)
where:
Base-Base interactions energy: -352.404
where: short stacking energy: -146.378
Base-Backbone interact. energy: -0.441
local terms energy: -165.080939
where:
bonds (distance) C4'-P energy: -35.682
bonds (distance) P-C4' energy: -27.913
flat angles C4'-P-C4' energy: -36.740
flat angles P-C4'-P energy: -22.349
tors. eta vs tors. theta energy: -42.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -465.570463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.570463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.570463 (E_RNA)
where:
Base-Base interactions energy: -308.052
where: short stacking energy: -123.445
Base-Backbone interact. energy: -0.830
local terms energy: -156.689213
where:
bonds (distance) C4'-P energy: -30.829
bonds (distance) P-C4' energy: -33.839
flat angles C4'-P-C4' energy: -31.465
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: -35.284
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: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -375.343959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.343959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.343959 (E_RNA)
where:
Base-Base interactions energy: -211.641
where: short stacking energy: -116.586
Base-Backbone interact. energy: -0.967
local terms energy: -162.735784
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -38.385
flat angles C4'-P-C4' energy: -37.001
flat angles P-C4'-P energy: -21.293
tors. eta vs tors. theta energy: -37.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -299.845011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.845011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.845011 (E_RNA)
where:
Base-Base interactions energy: -177.775
where: short stacking energy: -103.048
Base-Backbone interact. energy: 1.326
local terms energy: -123.395674
where:
bonds (distance) C4'-P energy: -22.021
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -30.644
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -23.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -246.577882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.577882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.577882 (E_RNA)
where:
Base-Base interactions energy: -130.805
where: short stacking energy: -71.732
Base-Backbone interact. energy: -0.514
local terms energy: -115.258661
where:
bonds (distance) C4'-P energy: -31.737
bonds (distance) P-C4' energy: -29.778
flat angles C4'-P-C4' energy: -30.875
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -179.034450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.034450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.034450 (E_RNA)
where:
Base-Base interactions energy: -78.635
where: short stacking energy: -58.874
Base-Backbone interact. energy: -0.269
local terms energy: -100.130580
where:
bonds (distance) C4'-P energy: -34.372
bonds (distance) P-C4' energy: -26.636
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: 6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -173.456181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.456181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.456181 (E_RNA)
where:
Base-Base interactions energy: -76.605
where: short stacking energy: -32.022
Base-Backbone interact. energy: -1.598
local terms energy: -95.253989
where:
bonds (distance) C4'-P energy: -23.446
bonds (distance) P-C4' energy: -38.055
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: 3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -142.138993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.138993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.138993 (E_RNA)
where:
Base-Base interactions energy: -43.341
where: short stacking energy: -33.428
Base-Backbone interact. energy: -0.641
local terms energy: -98.156727
where:
bonds (distance) C4'-P energy: -37.849
bonds (distance) P-C4' energy: -29.522
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: 9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -561.195088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.195088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.195088 (E_RNA)
where:
Base-Base interactions energy: -385.289
where: short stacking energy: -138.228
Base-Backbone interact. energy: -1.699
local terms energy: -174.206821
where:
bonds (distance) C4'-P energy: -37.506
bonds (distance) P-C4' energy: -35.639
flat angles C4'-P-C4' energy: -38.194
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: -40.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -530.661216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.661216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.661216 (E_RNA)
where:
Base-Base interactions energy: -347.590
where: short stacking energy: -163.786
Base-Backbone interact. energy: -0.151
local terms energy: -182.920213
where:
bonds (distance) C4'-P energy: -33.656
bonds (distance) P-C4' energy: -34.144
flat angles C4'-P-C4' energy: -37.555
flat angles P-C4'-P energy: -24.365
tors. eta vs tors. theta energy: -53.200
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: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -508.816902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.816902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.816902 (E_RNA)
where:
Base-Base interactions energy: -344.441
where: short stacking energy: -155.415
Base-Backbone interact. energy: -0.167
local terms energy: -164.209362
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -37.743
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -51.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -457.547546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.547546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.547546 (E_RNA)
where:
Base-Base interactions energy: -305.014
where: short stacking energy: -136.678
Base-Backbone interact. energy: -1.114
local terms energy: -151.419519
where:
bonds (distance) C4'-P energy: -33.647
bonds (distance) P-C4' energy: -34.805
flat angles C4'-P-C4' energy: -33.104
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -31.249
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: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -367.128785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.128785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.128785 (E_RNA)
where:
Base-Base interactions energy: -207.156
where: short stacking energy: -114.698
Base-Backbone interact. energy: 0.675
local terms energy: -160.647407
where:
bonds (distance) C4'-P energy: -33.217
bonds (distance) P-C4' energy: -35.698
flat angles C4'-P-C4' energy: -39.394
flat angles P-C4'-P energy: -25.227
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: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -340.337884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.337884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.337884 (E_RNA)
where:
Base-Base interactions energy: -214.294
where: short stacking energy: -84.233
Base-Backbone interact. energy: 0.062
local terms energy: -126.105891
where:
bonds (distance) C4'-P energy: -22.458
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -31.275
flat angles P-C4'-P energy: -20.560
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: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -185.220935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.220935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.220935 (E_RNA)
where:
Base-Base interactions energy: -65.352
where: short stacking energy: -38.122
Base-Backbone interact. energy: -1.535
local terms energy: -118.334258
where:
bonds (distance) C4'-P energy: -32.187
bonds (distance) P-C4' energy: -30.804
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: 1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -208.854148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.854148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.854148 (E_RNA)
where:
Base-Base interactions energy: -111.412
where: short stacking energy: -54.643
Base-Backbone interact. energy: -0.380
local terms energy: -97.062837
where:
bonds (distance) C4'-P energy: -28.905
bonds (distance) P-C4' energy: -25.383
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -1.395
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: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -156.747555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.747555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.747555 (E_RNA)
where:
Base-Base interactions energy: -50.376
where: short stacking energy: -40.144
Base-Backbone interact. energy: -0.319
local terms energy: -106.052520
where:
bonds (distance) C4'-P energy: -29.726
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -148.499681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.499681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.499681 (E_RNA)
where:
Base-Base interactions energy: -42.219
where: short stacking energy: -28.416
Base-Backbone interact. energy: -1.162
local terms energy: -105.118827
where:
bonds (distance) C4'-P energy: -33.272
bonds (distance) P-C4' energy: -27.602
flat angles C4'-P-C4' energy: -31.377
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: 2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -567.683218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.683218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.683218 (E_RNA)
where:
Base-Base interactions energy: -386.727
where: short stacking energy: -149.233
Base-Backbone interact. energy: -1.786
local terms energy: -179.169961
where:
bonds (distance) C4'-P energy: -38.609
bonds (distance) P-C4' energy: -38.926
flat angles C4'-P-C4' energy: -37.604
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -39.696
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: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -552.704289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.704289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.704289 (E_RNA)
where:
Base-Base interactions energy: -364.338
where: short stacking energy: -160.482
Base-Backbone interact. energy: -0.846
local terms energy: -187.520621
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -40.656
flat angles P-C4'-P energy: -31.020
tors. eta vs tors. theta energy: -47.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -517.693722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.693722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.693722 (E_RNA)
where:
Base-Base interactions energy: -340.065
where: short stacking energy: -158.562
Base-Backbone interact. energy: -0.058
local terms energy: -177.570655
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -31.807
flat angles C4'-P-C4' energy: -38.178
flat angles P-C4'-P energy: -27.941
tors. eta vs tors. theta energy: -53.130
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: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -447.321488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.321488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.321488 (E_RNA)
where:
Base-Base interactions energy: -282.632
where: short stacking energy: -105.192
Base-Backbone interact. energy: -0.353
local terms energy: -164.336225
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -40.869
flat angles C4'-P-C4' energy: -35.414
flat angles P-C4'-P energy: -27.271
tors. eta vs tors. theta energy: -35.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -382.924719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.924719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.924719 (E_RNA)
where:
Base-Base interactions energy: -225.907
where: short stacking energy: -112.563
Base-Backbone interact. energy: -0.157
local terms energy: -156.860763
where:
bonds (distance) C4'-P energy: -33.014
bonds (distance) P-C4' energy: -37.545
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -27.834
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: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -358.046025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.046025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.046025 (E_RNA)
where:
Base-Base interactions energy: -202.707
where: short stacking energy: -98.778
Base-Backbone interact. energy: -0.461
local terms energy: -154.877830
where:
bonds (distance) C4'-P energy: -36.317
bonds (distance) P-C4' energy: -40.991
flat angles C4'-P-C4' energy: -35.900
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -214.532859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.532859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.532859 (E_RNA)
where:
Base-Base interactions energy: -109.531
where: short stacking energy: -41.227
Base-Backbone interact. energy: 1.969
local terms energy: -106.970271
where:
bonds (distance) C4'-P energy: -29.718
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -30.454
flat angles P-C4'-P energy: -27.183
tors. eta vs tors. theta energy: 4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -233.667716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.667716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.667716 (E_RNA)
where:
Base-Base interactions energy: -106.977
where: short stacking energy: -59.059
Base-Backbone interact. energy: -0.763
local terms energy: -125.928047
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -35.542
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -10.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -152.182600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.182600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.182600 (E_RNA)
where:
Base-Base interactions energy: -55.385
where: short stacking energy: -37.206
Base-Backbone interact. energy: -0.272
local terms energy: -96.525146
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -28.743
flat angles C4'-P-C4' energy: -27.233
flat angles P-C4'-P energy: -14.028
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: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -162.969900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.969900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.969900 (E_RNA)
where:
Base-Base interactions energy: -48.940
where: short stacking energy: -48.131
Base-Backbone interact. energy: 0.210
local terms energy: -114.239832
where:
bonds (distance) C4'-P energy: -39.883
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -27.057
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -576.765616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.765616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.765616 (E_RNA)
where:
Base-Base interactions energy: -385.054
where: short stacking energy: -171.042
Base-Backbone interact. energy: -0.069
local terms energy: -191.642359
where:
bonds (distance) C4'-P energy: -38.302
bonds (distance) P-C4' energy: -34.221
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -27.874
tors. eta vs tors. theta energy: -58.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -578.429409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.429409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.429409 (E_RNA)
where:
Base-Base interactions energy: -403.152
where: short stacking energy: -153.173
Base-Backbone interact. energy: -2.566
local terms energy: -172.712099
where:
bonds (distance) C4'-P energy: -35.847
bonds (distance) P-C4' energy: -36.685
flat angles C4'-P-C4' energy: -32.457
flat angles P-C4'-P energy: -26.774
tors. eta vs tors. theta energy: -40.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -523.067835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.067835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.067835 (E_RNA)
where:
Base-Base interactions energy: -352.447
where: short stacking energy: -166.670
Base-Backbone interact. energy: -0.054
local terms energy: -170.567178
where:
bonds (distance) C4'-P energy: -32.855
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -33.341
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -54.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -458.957882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.957882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.957882 (E_RNA)
where:
Base-Base interactions energy: -295.576
where: short stacking energy: -139.788
Base-Backbone interact. energy: -0.427
local terms energy: -162.954376
where:
bonds (distance) C4'-P energy: -29.511
bonds (distance) P-C4' energy: -37.439
flat angles C4'-P-C4' energy: -30.365
flat angles P-C4'-P energy: -26.204
tors. eta vs tors. theta energy: -39.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -344.642360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.642360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.642360 (E_RNA)
where:
Base-Base interactions energy: -215.933
where: short stacking energy: -93.038
Base-Backbone interact. energy: -0.393
local terms energy: -128.316330
where:
bonds (distance) C4'-P energy: -31.246
bonds (distance) P-C4' energy: -31.538
flat angles C4'-P-C4' energy: -32.115
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -361.164808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.164808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.164808 (E_RNA)
where:
Base-Base interactions energy: -218.598
where: short stacking energy: -118.619
Base-Backbone interact. energy: -0.316
local terms energy: -142.250797
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -38.497
flat angles P-C4'-P energy: -21.395
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: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -268.944963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.944963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.944963 (E_RNA)
where:
Base-Base interactions energy: -148.202
where: short stacking energy: -69.659
Base-Backbone interact. energy: -0.878
local terms energy: -119.864837
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -33.708
flat angles C4'-P-C4' energy: -39.063
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -172.622184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.622184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.622184 (E_RNA)
where:
Base-Base interactions energy: -65.367
where: short stacking energy: -36.932
Base-Backbone interact. energy: 1.729
local terms energy: -108.984167
where:
bonds (distance) C4'-P energy: -32.728
bonds (distance) P-C4' energy: -39.684
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: 6.915
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: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -179.435743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.435743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.435743 (E_RNA)
where:
Base-Base interactions energy: -69.736
where: short stacking energy: -50.932
Base-Backbone interact. energy: -0.255
local terms energy: -109.444759
where:
bonds (distance) C4'-P energy: -27.681
bonds (distance) P-C4' energy: -36.994
flat angles C4'-P-C4' energy: -30.087
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -170.395255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.395255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.395255 (E_RNA)
where:
Base-Base interactions energy: -68.247
where: short stacking energy: -35.220
Base-Backbone interact. energy: 0.468
local terms energy: -102.616251
where:
bonds (distance) C4'-P energy: -30.961
bonds (distance) P-C4' energy: -28.979
flat angles C4'-P-C4' energy: -27.343
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: 0.121
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: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -575.831194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.831194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.831194 (E_RNA)
where:
Base-Base interactions energy: -376.603
where: short stacking energy: -158.229
Base-Backbone interact. energy: -0.044
local terms energy: -199.184723
where:
bonds (distance) C4'-P energy: -36.465
bonds (distance) P-C4' energy: -37.648
flat angles C4'-P-C4' energy: -38.833
flat angles P-C4'-P energy: -33.396
tors. eta vs tors. theta energy: -52.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -542.037909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.037909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.037909 (E_RNA)
where:
Base-Base interactions energy: -378.219
where: short stacking energy: -142.202
Base-Backbone interact. energy: 1.495
local terms energy: -165.313998
where:
bonds (distance) C4'-P energy: -34.905
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -36.597
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -42.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -504.047119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.047119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.047119 (E_RNA)
where:
Base-Base interactions energy: -346.038
where: short stacking energy: -149.902
Base-Backbone interact. energy: -0.279
local terms energy: -157.729903
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -33.247
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -45.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -502.318894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.318894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.318894 (E_RNA)
where:
Base-Base interactions energy: -333.754
where: short stacking energy: -149.631
Base-Backbone interact. energy: -0.248
local terms energy: -168.316248
where:
bonds (distance) C4'-P energy: -35.541
bonds (distance) P-C4' energy: -30.802
flat angles C4'-P-C4' energy: -35.468
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -46.330
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: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -340.596638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.596638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.596638 (E_RNA)
where:
Base-Base interactions energy: -215.125
where: short stacking energy: -110.905
Base-Backbone interact. energy: -0.711
local terms energy: -124.760626
where:
bonds (distance) C4'-P energy: -26.932
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -32.708
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -351.987785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.987785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.987785 (E_RNA)
where:
Base-Base interactions energy: -206.950
where: short stacking energy: -103.957
Base-Backbone interact. energy: -0.245
local terms energy: -144.792837
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -33.034
flat angles C4'-P-C4' energy: -33.364
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -23.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -228.487449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.487449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.487449 (E_RNA)
where:
Base-Base interactions energy: -115.691
where: short stacking energy: -59.838
Base-Backbone interact. energy: 0.304
local terms energy: -113.100716
where:
bonds (distance) C4'-P energy: -31.855
bonds (distance) P-C4' energy: -37.163
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: 1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -162.751811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.751811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.751811 (E_RNA)
where:
Base-Base interactions energy: -50.101
where: short stacking energy: -50.101
Base-Backbone interact. energy: -1.379
local terms energy: -111.271794
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -37.277
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -20.917
tors. eta vs tors. theta energy: 1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -164.514872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.514872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.514872 (E_RNA)
where:
Base-Base interactions energy: -59.644
where: short stacking energy: -54.110
Base-Backbone interact. energy: -0.260
local terms energy: -104.610558
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -29.427
flat angles C4'-P-C4' energy: -27.178
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -145.465471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.465471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.465471 (E_RNA)
where:
Base-Base interactions energy: -53.423
where: short stacking energy: -32.467
Base-Backbone interact. energy: 2.451
local terms energy: -94.493832
where:
bonds (distance) C4'-P energy: -29.640
bonds (distance) P-C4' energy: -26.823
flat angles C4'-P-C4' energy: -26.209
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: 4.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -569.077893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.077893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.077893 (E_RNA)
where:
Base-Base interactions energy: -376.088
where: short stacking energy: -174.947
Base-Backbone interact. energy: -0.616
local terms energy: -192.373555
where:
bonds (distance) C4'-P energy: -35.514
bonds (distance) P-C4' energy: -40.646
flat angles C4'-P-C4' energy: -34.734
flat angles P-C4'-P energy: -22.018
tors. eta vs tors. theta energy: -59.461
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: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -546.737767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.737767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.737767 (E_RNA)
where:
Base-Base interactions energy: -383.426
where: short stacking energy: -137.096
Base-Backbone interact. energy: -1.460
local terms energy: -161.852396
where:
bonds (distance) C4'-P energy: -37.034
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -36.742
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -39.375
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: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -495.694086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.694086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.694086 (E_RNA)
where:
Base-Base interactions energy: -327.075
where: short stacking energy: -153.880
Base-Backbone interact. energy: -0.175
local terms energy: -168.443639
where:
bonds (distance) C4'-P energy: -28.952
bonds (distance) P-C4' energy: -30.653
flat angles C4'-P-C4' energy: -38.627
flat angles P-C4'-P energy: -22.558
tors. eta vs tors. theta energy: -47.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -506.068906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.068906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.068906 (E_RNA)
where:
Base-Base interactions energy: -348.499
where: short stacking energy: -134.630
Base-Backbone interact. energy: -0.493
local terms energy: -157.077014
where:
bonds (distance) C4'-P energy: -29.246
bonds (distance) P-C4' energy: -33.119
flat angles C4'-P-C4' energy: -34.243
flat angles P-C4'-P energy: -24.294
tors. eta vs tors. theta energy: -36.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -340.320355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.320355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.320355 (E_RNA)
where:
Base-Base interactions energy: -200.785
where: short stacking energy: -90.842
Base-Backbone interact. energy: -0.718
local terms energy: -138.816763
where:
bonds (distance) C4'-P energy: -40.285
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -25.104
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -311.617633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.617633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.617633 (E_RNA)
where:
Base-Base interactions energy: -184.758
where: short stacking energy: -79.809
Base-Backbone interact. energy: -0.430
local terms energy: -126.429736
where:
bonds (distance) C4'-P energy: -34.551
bonds (distance) P-C4' energy: -37.685
flat angles C4'-P-C4' energy: -26.311
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -196.490232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.490232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.490232 (E_RNA)
where:
Base-Base interactions energy: -77.086
where: short stacking energy: -64.042
Base-Backbone interact. energy: 0.284
local terms energy: -119.687424
where:
bonds (distance) C4'-P energy: -32.906
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -29.740
flat angles P-C4'-P energy: -23.118
tors. eta vs tors. theta energy: -7.560
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: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -154.678504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.678504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.678504 (E_RNA)
where:
Base-Base interactions energy: -65.743
where: short stacking energy: -49.647
Base-Backbone interact. energy: 1.970
local terms energy: -90.905550
where:
bonds (distance) C4'-P energy: -33.776
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: 4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -177.946351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.946351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.946351 (E_RNA)
where:
Base-Base interactions energy: -60.909
where: short stacking energy: -41.813
Base-Backbone interact. energy: -1.269
local terms energy: -115.768793
where:
bonds (distance) C4'-P energy: -27.857
bonds (distance) P-C4' energy: -32.030
flat angles C4'-P-C4' energy: -34.875
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -144.983885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.983885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.983885 (E_RNA)
where:
Base-Base interactions energy: -56.015
where: short stacking energy: -37.383
Base-Backbone interact. energy: 1.518
local terms energy: -90.485972
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -36.441
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -14.869
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: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -569.411504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.411504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.411504 (E_RNA)
where:
Base-Base interactions energy: -379.762
where: short stacking energy: -165.828
Base-Backbone interact. energy: -0.312
local terms energy: -189.337531
where:
bonds (distance) C4'-P energy: -32.664
bonds (distance) P-C4' energy: -40.772
flat angles C4'-P-C4' energy: -37.721
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -47.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -543.183264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.183264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.183264 (E_RNA)
where:
Base-Base interactions energy: -384.557
where: short stacking energy: -133.354
Base-Backbone interact. energy: -1.362
local terms energy: -157.263792
where:
bonds (distance) C4'-P energy: -33.147
bonds (distance) P-C4' energy: -28.684
flat angles C4'-P-C4' energy: -35.097
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: -40.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -494.183061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.183061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.183061 (E_RNA)
where:
Base-Base interactions energy: -321.653
where: short stacking energy: -149.927
Base-Backbone interact. energy: -0.376
local terms energy: -172.153600
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -28.744
flat angles C4'-P-C4' energy: -39.704
flat angles P-C4'-P energy: -29.291
tors. eta vs tors. theta energy: -46.121
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: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -498.605021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.605021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.605021 (E_RNA)
where:
Base-Base interactions energy: -333.097
where: short stacking energy: -132.741
Base-Backbone interact. energy: -2.475
local terms energy: -163.033470
where:
bonds (distance) C4'-P energy: -31.943
bonds (distance) P-C4' energy: -36.198
flat angles C4'-P-C4' energy: -36.608
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -35.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -405.394661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.394661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.394661 (E_RNA)
where:
Base-Base interactions energy: -249.933
where: short stacking energy: -107.564
Base-Backbone interact. energy: -0.820
local terms energy: -154.641596
where:
bonds (distance) C4'-P energy: -34.036
bonds (distance) P-C4' energy: -29.902
flat angles C4'-P-C4' energy: -34.146
flat angles P-C4'-P energy: -28.790
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: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -328.583359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.583359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.583359 (E_RNA)
where:
Base-Base interactions energy: -194.471
where: short stacking energy: -98.288
Base-Backbone interact. energy: -1.340
local terms energy: -132.771780
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -33.810
flat angles C4'-P-C4' energy: -32.911
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -22.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -174.551289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.551289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.551289 (E_RNA)
where:
Base-Base interactions energy: -63.353
where: short stacking energy: -60.192
Base-Backbone interact. energy: 0.366
local terms energy: -111.564304
where:
bonds (distance) C4'-P energy: -24.965
bonds (distance) P-C4' energy: -33.884
flat angles C4'-P-C4' energy: -31.529
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -178.175700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.175700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.175700 (E_RNA)
where:
Base-Base interactions energy: -63.060
where: short stacking energy: -55.125
Base-Backbone interact. energy: -0.288
local terms energy: -114.828295
where:
bonds (distance) C4'-P energy: -29.781
bonds (distance) P-C4' energy: -35.073
flat angles C4'-P-C4' energy: -31.373
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -210.875788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.875788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.875788 (E_RNA)
where:
Base-Base interactions energy: -102.321
where: short stacking energy: -45.603
Base-Backbone interact. energy: 0.634
local terms energy: -109.188950
where:
bonds (distance) C4'-P energy: -32.314
bonds (distance) P-C4' energy: -35.066
flat angles C4'-P-C4' energy: -25.443
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: 2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -133.485836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.485836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.485836 (E_RNA)
where:
Base-Base interactions energy: -34.126
where: short stacking energy: -31.199
Base-Backbone interact. energy: -0.438
local terms energy: -98.921159
where:
bonds (distance) C4'-P energy: -27.546
bonds (distance) P-C4' energy: -34.885
flat angles C4'-P-C4' energy: -31.587
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: 6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -577.304996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.304996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.304996 (E_RNA)
where:
Base-Base interactions energy: -384.768
where: short stacking energy: -171.237
Base-Backbone interact. energy: -0.139
local terms energy: -192.398467
where:
bonds (distance) C4'-P energy: -37.987
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -30.370
tors. eta vs tors. theta energy: -56.897
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: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -550.216337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.216337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.216337 (E_RNA)
where:
Base-Base interactions energy: -378.711
where: short stacking energy: -149.755
Base-Backbone interact. energy: -0.035
local terms energy: -171.470849
where:
bonds (distance) C4'-P energy: -32.822
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -39.262
flat angles P-C4'-P energy: -25.380
tors. eta vs tors. theta energy: -39.442
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: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -520.252895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.252895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.252895 (E_RNA)
where:
Base-Base interactions energy: -353.604
where: short stacking energy: -141.847
Base-Backbone interact. energy: -0.790
local terms energy: -165.858227
where:
bonds (distance) C4'-P energy: -28.602
bonds (distance) P-C4' energy: -35.937
flat angles C4'-P-C4' energy: -33.474
flat angles P-C4'-P energy: -26.568
tors. eta vs tors. theta energy: -41.278
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: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -473.258595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.258595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.258595 (E_RNA)
where:
Base-Base interactions energy: -297.124
where: short stacking energy: -137.828
Base-Backbone interact. energy: 0.414
local terms energy: -176.547733
where:
bonds (distance) C4'-P energy: -34.218
bonds (distance) P-C4' energy: -35.736
flat angles C4'-P-C4' energy: -38.131
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -45.494
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: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -415.198583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.198583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.198583 (E_RNA)
where:
Base-Base interactions energy: -263.890
where: short stacking energy: -115.089
Base-Backbone interact. energy: -0.176
local terms energy: -151.132308
where:
bonds (distance) C4'-P energy: -29.105
bonds (distance) P-C4' energy: -33.016
flat angles C4'-P-C4' energy: -36.618
flat angles P-C4'-P energy: -22.984
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: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -321.503521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.503521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.503521 (E_RNA)
where:
Base-Base interactions energy: -187.993
where: short stacking energy: -90.736
Base-Backbone interact. energy: -1.155
local terms energy: -132.355600
where:
bonds (distance) C4'-P energy: -29.730
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -167.556455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.556455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.556455 (E_RNA)
where:
Base-Base interactions energy: -50.759
where: short stacking energy: -49.692
Base-Backbone interact. energy: -0.466
local terms energy: -116.331564
where:
bonds (distance) C4'-P energy: -38.013
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -30.533
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -166.330705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.330705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.330705 (E_RNA)
where:
Base-Base interactions energy: -59.697
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.851
local terms energy: -105.781931
where:
bonds (distance) C4'-P energy: -38.102
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -32.351
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: 0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -213.253015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.253015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.253015 (E_RNA)
where:
Base-Base interactions energy: -116.746
where: short stacking energy: -47.777
Base-Backbone interact. energy: -1.053
local terms energy: -95.453641
where:
bonds (distance) C4'-P energy: -28.366
bonds (distance) P-C4' energy: -25.307
flat angles C4'-P-C4' energy: -28.387
flat angles P-C4'-P energy: -19.193
tors. eta vs tors. theta energy: 5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -145.245701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.245701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.245701 (E_RNA)
where:
Base-Base interactions energy: -55.581
where: short stacking energy: -49.096
Base-Backbone interact. energy: 2.811
local terms energy: -92.475777
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -30.648
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -587.266641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.266641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.266641 (E_RNA)
where:
Base-Base interactions energy: -396.102
where: short stacking energy: -166.239
Base-Backbone interact. energy: -0.014
local terms energy: -191.150534
where:
bonds (distance) C4'-P energy: -36.972
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -36.973
flat angles P-C4'-P energy: -31.388
tors. eta vs tors. theta energy: -55.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -526.845067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.845067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.845067 (E_RNA)
where:
Base-Base interactions energy: -358.494
where: short stacking energy: -145.613
Base-Backbone interact. energy: -1.389
local terms energy: -166.961375
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -37.434
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -38.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -523.554695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.554695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.554695 (E_RNA)
where:
Base-Base interactions energy: -357.276
where: short stacking energy: -141.916
Base-Backbone interact. energy: -1.448
local terms energy: -164.830049
where:
bonds (distance) C4'-P energy: -30.357
bonds (distance) P-C4' energy: -35.402
flat angles C4'-P-C4' energy: -35.469
flat angles P-C4'-P energy: -23.528
tors. eta vs tors. theta energy: -40.075
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: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -482.746478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.746478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.746478 (E_RNA)
where:
Base-Base interactions energy: -305.455
where: short stacking energy: -152.347
Base-Backbone interact. energy: -0.058
local terms energy: -177.233393
where:
bonds (distance) C4'-P energy: -36.886
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -37.123
flat angles P-C4'-P energy: -26.619
tors. eta vs tors. theta energy: -48.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -388.810122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.810122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.810122 (E_RNA)
where:
Base-Base interactions energy: -236.478
where: short stacking energy: -106.054
Base-Backbone interact. energy: 2.106
local terms energy: -154.438445
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -32.145
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -34.614
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: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -324.588628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.588628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.588628 (E_RNA)
where:
Base-Base interactions energy: -193.579
where: short stacking energy: -85.489
Base-Backbone interact. energy: -1.154
local terms energy: -129.855891
where:
bonds (distance) C4'-P energy: -33.214
bonds (distance) P-C4' energy: -31.266
flat angles C4'-P-C4' energy: -32.177
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -197.425751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.425751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.425751 (E_RNA)
where:
Base-Base interactions energy: -71.064
where: short stacking energy: -48.590
Base-Backbone interact. energy: -0.365
local terms energy: -125.996529
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -188.064396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.064396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.064396 (E_RNA)
where:
Base-Base interactions energy: -98.871
where: short stacking energy: -54.568
Base-Backbone interact. energy: -0.260
local terms energy: -88.933399
where:
bonds (distance) C4'-P energy: -24.056
bonds (distance) P-C4' energy: -34.242
flat angles C4'-P-C4' energy: -25.125
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: 4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -163.428192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.428192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.428192 (E_RNA)
where:
Base-Base interactions energy: -62.152
where: short stacking energy: -54.203
Base-Backbone interact. energy: -0.685
local terms energy: -100.591575
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -30.121
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: 7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -140.958445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.958445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.958445 (E_RNA)
where:
Base-Base interactions energy: -42.943
where: short stacking energy: -22.120
Base-Backbone interact. energy: -0.583
local terms energy: -97.431505
where:
bonds (distance) C4'-P energy: -30.029
bonds (distance) P-C4' energy: -33.185
flat angles C4'-P-C4' energy: -28.843
flat angles P-C4'-P energy: -14.820
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: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -569.326515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.326515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.326515 (E_RNA)
where:
Base-Base interactions energy: -388.310
where: short stacking energy: -155.230
Base-Backbone interact. energy: -0.034
local terms energy: -180.983178
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -31.269
flat angles C4'-P-C4' energy: -35.554
flat angles P-C4'-P energy: -27.708
tors. eta vs tors. theta energy: -49.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -532.450176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.450176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.450176 (E_RNA)
where:
Base-Base interactions energy: -363.340
where: short stacking energy: -147.016
Base-Backbone interact. energy: 0.361
local terms energy: -169.471396
where:
bonds (distance) C4'-P energy: -33.679
bonds (distance) P-C4' energy: -37.312
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: -43.920
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: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -529.964660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.964660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.964660 (E_RNA)
where:
Base-Base interactions energy: -372.620
where: short stacking energy: -141.605
Base-Backbone interact. energy: 3.573
local terms energy: -160.917745
where:
bonds (distance) C4'-P energy: -29.341
bonds (distance) P-C4' energy: -36.183
flat angles C4'-P-C4' energy: -27.513
flat angles P-C4'-P energy: -23.877
tors. eta vs tors. theta energy: -44.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -495.677075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.677075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.677075 (E_RNA)
where:
Base-Base interactions energy: -338.319
where: short stacking energy: -142.374
Base-Backbone interact. energy: -0.153
local terms energy: -157.204548
where:
bonds (distance) C4'-P energy: -32.611
bonds (distance) P-C4' energy: -32.319
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -42.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -392.084815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.084815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.084815 (E_RNA)
where:
Base-Base interactions energy: -249.805
where: short stacking energy: -105.780
Base-Backbone interact. energy: -0.451
local terms energy: -141.828411
where:
bonds (distance) C4'-P energy: -31.120
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -33.155
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -25.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -347.746774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.746774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.746774 (E_RNA)
where:
Base-Base interactions energy: -216.854
where: short stacking energy: -100.304
Base-Backbone interact. energy: -1.751
local terms energy: -129.141811
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -32.151
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -30.096
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: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -180.625406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.625406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.625406 (E_RNA)
where:
Base-Base interactions energy: -55.383
where: short stacking energy: -46.301
Base-Backbone interact. energy: -0.434
local terms energy: -124.808721
where:
bonds (distance) C4'-P energy: -39.834
bonds (distance) P-C4' energy: -39.263
flat angles C4'-P-C4' energy: -25.443
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -176.166337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.166337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.166337 (E_RNA)
where:
Base-Base interactions energy: -72.402
where: short stacking energy: -45.402
Base-Backbone interact. energy: -0.012
local terms energy: -103.752777
where:
bonds (distance) C4'-P energy: -29.645
bonds (distance) P-C4' energy: -33.006
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: 4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -158.224039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.224039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.224039 (E_RNA)
where:
Base-Base interactions energy: -42.721
where: short stacking energy: -34.974
Base-Backbone interact. energy: 2.446
local terms energy: -117.948509
where:
bonds (distance) C4'-P energy: -36.127
bonds (distance) P-C4' energy: -35.666
flat angles C4'-P-C4' energy: -27.160
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: 0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -153.077712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.077712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.077712 (E_RNA)
where:
Base-Base interactions energy: -47.773
where: short stacking energy: -38.538
Base-Backbone interact. energy: 3.458
local terms energy: -108.763331
where:
bonds (distance) C4'-P energy: -36.155
bonds (distance) P-C4' energy: -36.207
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -15.895
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: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -566.793803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.793803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.793803 (E_RNA)
where:
Base-Base interactions energy: -391.895
where: short stacking energy: -153.597
Base-Backbone interact. energy: -0.016
local terms energy: -174.883312
where:
bonds (distance) C4'-P energy: -31.092
bonds (distance) P-C4' energy: -28.306
flat angles C4'-P-C4' energy: -34.762
flat angles P-C4'-P energy: -25.245
tors. eta vs tors. theta energy: -55.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -545.294005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.294005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.294005 (E_RNA)
where:
Base-Base interactions energy: -380.072
where: short stacking energy: -132.637
Base-Backbone interact. energy: -1.222
local terms energy: -164.000563
where:
bonds (distance) C4'-P energy: -33.291
bonds (distance) P-C4' energy: -35.265
flat angles C4'-P-C4' energy: -32.022
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -43.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -511.937048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.937048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.937048 (E_RNA)
where:
Base-Base interactions energy: -341.491
where: short stacking energy: -131.371
Base-Backbone interact. energy: -0.425
local terms energy: -170.021577
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -30.404
flat angles C4'-P-C4' energy: -38.253
flat angles P-C4'-P energy: -25.903
tors. eta vs tors. theta energy: -41.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -519.706485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.706485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.706485 (E_RNA)
where:
Base-Base interactions energy: -339.917
where: short stacking energy: -148.673
Base-Backbone interact. energy: -0.552
local terms energy: -179.237204
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -35.701
flat angles C4'-P-C4' energy: -38.980
flat angles P-C4'-P energy: -26.840
tors. eta vs tors. theta energy: -46.532
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: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -404.359398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.359398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.359398 (E_RNA)
where:
Base-Base interactions energy: -260.473
where: short stacking energy: -117.999
Base-Backbone interact. energy: -0.304
local terms energy: -143.581621
where:
bonds (distance) C4'-P energy: -35.788
bonds (distance) P-C4' energy: -30.323
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -22.984
tors. eta vs tors. theta energy: -22.871
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: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -360.832587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.832587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.832587 (E_RNA)
where:
Base-Base interactions energy: -209.839
where: short stacking energy: -91.802
Base-Backbone interact. energy: -0.189
local terms energy: -150.805301
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -38.358
flat angles C4'-P-C4' energy: -33.464
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -30.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -177.234313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.234313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.234313 (E_RNA)
where:
Base-Base interactions energy: -63.017
where: short stacking energy: -61.343
Base-Backbone interact. energy: -0.056
local terms energy: -114.161002
where:
bonds (distance) C4'-P energy: -31.938
bonds (distance) P-C4' energy: -38.785
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -4.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -187.088567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.088567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.088567 (E_RNA)
where:
Base-Base interactions energy: -59.744
where: short stacking energy: -38.935
Base-Backbone interact. energy: -0.680
local terms energy: -126.665105
where:
bonds (distance) C4'-P energy: -31.270
bonds (distance) P-C4' energy: -38.883
flat angles C4'-P-C4' energy: -38.804
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: 5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -172.724867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.724867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.724867 (E_RNA)
where:
Base-Base interactions energy: -71.540
where: short stacking energy: -43.590
Base-Backbone interact. energy: -1.139
local terms energy: -100.046361
where:
bonds (distance) C4'-P energy: -32.871
bonds (distance) P-C4' energy: -33.402
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -22.820
tors. eta vs tors. theta energy: 5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -149.968357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.968357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.968357 (E_RNA)
where:
Base-Base interactions energy: -51.468
where: short stacking energy: -38.250
Base-Backbone interact. energy: -1.379
local terms energy: -97.120661
where:
bonds (distance) C4'-P energy: -31.736
bonds (distance) P-C4' energy: -26.270
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -24.118
tors. eta vs tors. theta energy: 7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -564.693254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.693254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.693254 (E_RNA)
where:
Base-Base interactions energy: -379.497
where: short stacking energy: -163.718
Base-Backbone interact. energy: -0.239
local terms energy: -184.956802
where:
bonds (distance) C4'-P energy: -36.054
bonds (distance) P-C4' energy: -36.333
flat angles C4'-P-C4' energy: -36.805
flat angles P-C4'-P energy: -25.539
tors. eta vs tors. theta energy: -50.225
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: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -551.127845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.127845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.127845 (E_RNA)
where:
Base-Base interactions energy: -377.871
where: short stacking energy: -119.537
Base-Backbone interact. energy: -1.734
local terms energy: -171.522024
where:
bonds (distance) C4'-P energy: -36.190
bonds (distance) P-C4' energy: -37.066
flat angles C4'-P-C4' energy: -33.607
flat angles P-C4'-P energy: -24.377
tors. eta vs tors. theta energy: -40.281
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: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -523.066543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.066543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.066543 (E_RNA)
where:
Base-Base interactions energy: -338.201
where: short stacking energy: -155.518
Base-Backbone interact. energy: 0.284
local terms energy: -185.149537
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -38.494
flat angles C4'-P-C4' energy: -36.682
flat angles P-C4'-P energy: -28.611
tors. eta vs tors. theta energy: -46.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -484.425675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.425675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.425675 (E_RNA)
where:
Base-Base interactions energy: -330.446
where: short stacking energy: -137.640
Base-Backbone interact. energy: 0.751
local terms energy: -154.730769
where:
bonds (distance) C4'-P energy: -34.048
bonds (distance) P-C4' energy: -33.144
flat angles C4'-P-C4' energy: -29.199
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -40.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -399.660002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.660002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.660002 (E_RNA)
where:
Base-Base interactions energy: -258.838
where: short stacking energy: -112.750
Base-Backbone interact. energy: -0.451
local terms energy: -140.370985
where:
bonds (distance) C4'-P energy: -31.908
bonds (distance) P-C4' energy: -35.925
flat angles C4'-P-C4' energy: -27.074
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -24.431
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: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -329.993047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.993047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.993047 (E_RNA)
where:
Base-Base interactions energy: -199.431
where: short stacking energy: -99.446
Base-Backbone interact. energy: -0.339
local terms energy: -130.222875
where:
bonds (distance) C4'-P energy: -29.667
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -29.224
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -212.894540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.894540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.894540 (E_RNA)
where:
Base-Base interactions energy: -105.582
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.742
local terms energy: -106.570692
where:
bonds (distance) C4'-P energy: -37.206
bonds (distance) P-C4' energy: -34.454
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: 4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -171.215106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.215106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.215106 (E_RNA)
where:
Base-Base interactions energy: -69.353
where: short stacking energy: -52.520
Base-Backbone interact. energy: -0.956
local terms energy: -100.905749
where:
bonds (distance) C4'-P energy: -30.029
bonds (distance) P-C4' energy: -29.761
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -165.697213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.697213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.697213 (E_RNA)
where:
Base-Base interactions energy: -73.588
where: short stacking energy: -46.811
Base-Backbone interact. energy: -2.463
local terms energy: -89.645328
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -35.165
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: 1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -152.480526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.480526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.480526 (E_RNA)
where:
Base-Base interactions energy: -55.866
where: short stacking energy: -52.910
Base-Backbone interact. energy: -0.020
local terms energy: -96.594518
where:
bonds (distance) C4'-P energy: -30.077
bonds (distance) P-C4' energy: -28.691
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -10.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -569.130586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.130586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.130586 (E_RNA)
where:
Base-Base interactions energy: -377.440
where: short stacking energy: -162.151
Base-Backbone interact. energy: 0.213
local terms energy: -191.903828
where:
bonds (distance) C4'-P energy: -40.539
bonds (distance) P-C4' energy: -31.056
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -28.548
tors. eta vs tors. theta energy: -53.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -526.008740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.008740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.008740 (E_RNA)
where:
Base-Base interactions energy: -349.384
where: short stacking energy: -142.328
Base-Backbone interact. energy: -0.428
local terms energy: -176.196280
where:
bonds (distance) C4'-P energy: -34.049
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -29.336
tors. eta vs tors. theta energy: -45.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -535.192157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.192157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.192157 (E_RNA)
where:
Base-Base interactions energy: -366.495
where: short stacking energy: -136.828
Base-Backbone interact. energy: -1.342
local terms energy: -167.354881
where:
bonds (distance) C4'-P energy: -38.318
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -34.809
flat angles P-C4'-P energy: -23.973
tors. eta vs tors. theta energy: -44.243
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: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -489.918980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.918980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.918980 (E_RNA)
where:
Base-Base interactions energy: -318.320
where: short stacking energy: -111.817
Base-Backbone interact. energy: -1.634
local terms energy: -169.964774
where:
bonds (distance) C4'-P energy: -33.983
bonds (distance) P-C4' energy: -32.785
flat angles C4'-P-C4' energy: -33.018
flat angles P-C4'-P energy: -25.154
tors. eta vs tors. theta energy: -45.024
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: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -421.507013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.507013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.507013 (E_RNA)
where:
Base-Base interactions energy: -294.303
where: short stacking energy: -106.455
Base-Backbone interact. energy: -1.010
local terms energy: -126.194650
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -27.100
flat angles C4'-P-C4' energy: -28.349
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -30.318
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: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -271.830963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.830963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.830963 (E_RNA)
where:
Base-Base interactions energy: -154.491
where: short stacking energy: -81.131
Base-Backbone interact. energy: -0.431
local terms energy: -116.908827
where:
bonds (distance) C4'-P energy: -29.559
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -32.890
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -214.268938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.268938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.268938 (E_RNA)
where:
Base-Base interactions energy: -103.560
where: short stacking energy: -53.488
Base-Backbone interact. energy: -0.172
local terms energy: -110.536465
where:
bonds (distance) C4'-P energy: -32.289
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -32.097
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -163.518276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.518276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.518276 (E_RNA)
where:
Base-Base interactions energy: -63.741
where: short stacking energy: -56.725
Base-Backbone interact. energy: -0.354
local terms energy: -99.423316
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -34.116
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -176.458949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.458949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.458949 (E_RNA)
where:
Base-Base interactions energy: -65.814
where: short stacking energy: -55.720
Base-Backbone interact. energy: -0.685
local terms energy: -109.959707
where:
bonds (distance) C4'-P energy: -28.769
bonds (distance) P-C4' energy: -34.618
flat angles C4'-P-C4' energy: -28.696
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -139.892982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.892982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.892982 (E_RNA)
where:
Base-Base interactions energy: -36.828
where: short stacking energy: -33.927
Base-Backbone interact. energy: -0.592
local terms energy: -102.472844
where:
bonds (distance) C4'-P energy: -29.947
bonds (distance) P-C4' energy: -34.478
flat angles C4'-P-C4' energy: -28.313
flat angles P-C4'-P energy: -8.782
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: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -565.457030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.457030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.457030 (E_RNA)
where:
Base-Base interactions energy: -372.587
where: short stacking energy: -156.436
Base-Backbone interact. energy: 0.147
local terms energy: -193.017304
where:
bonds (distance) C4'-P energy: -39.005
bonds (distance) P-C4' energy: -30.836
flat angles C4'-P-C4' energy: -44.297
flat angles P-C4'-P energy: -24.969
tors. eta vs tors. theta energy: -53.911
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: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -540.061466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.061466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.061466 (E_RNA)
where:
Base-Base interactions energy: -355.478
where: short stacking energy: -167.490
Base-Backbone interact. energy: -0.006
local terms energy: -184.577484
where:
bonds (distance) C4'-P energy: -32.452
bonds (distance) P-C4' energy: -36.111
flat angles C4'-P-C4' energy: -39.757
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -53.566
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: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -537.671611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.671611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.671611 (E_RNA)
where:
Base-Base interactions energy: -372.521
where: short stacking energy: -132.464
Base-Backbone interact. energy: -0.307
local terms energy: -164.844230
where:
bonds (distance) C4'-P energy: -33.102
bonds (distance) P-C4' energy: -35.227
flat angles C4'-P-C4' energy: -33.486
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -42.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -489.271217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.271217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.271217 (E_RNA)
where:
Base-Base interactions energy: -335.363
where: short stacking energy: -140.875
Base-Backbone interact. energy: 0.839
local terms energy: -154.747072
where:
bonds (distance) C4'-P energy: -29.329
bonds (distance) P-C4' energy: -32.623
flat angles C4'-P-C4' energy: -33.604
flat angles P-C4'-P energy: -21.443
tors. eta vs tors. theta energy: -37.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -428.513991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.513991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.513991 (E_RNA)
where:
Base-Base interactions energy: -288.873
where: short stacking energy: -113.574
Base-Backbone interact. energy: -0.328
local terms energy: -139.312460
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -33.697
flat angles C4'-P-C4' energy: -36.204
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -27.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -292.874146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.874146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.874146 (E_RNA)
where:
Base-Base interactions energy: -158.218
where: short stacking energy: -84.078
Base-Backbone interact. energy: -0.451
local terms energy: -134.204903
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -36.718
flat angles C4'-P-C4' energy: -35.949
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -201.487874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.487874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.487874 (E_RNA)
where:
Base-Base interactions energy: -78.642
where: short stacking energy: -69.897
Base-Backbone interact. energy: 0.004
local terms energy: -122.849378
where:
bonds (distance) C4'-P energy: -25.696
bonds (distance) P-C4' energy: -32.729
flat angles C4'-P-C4' energy: -32.208
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -12.540
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: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -198.415417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.415417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.415417 (E_RNA)
where:
Base-Base interactions energy: -88.902
where: short stacking energy: -44.738
Base-Backbone interact. energy: -1.780
local terms energy: -107.733144
where:
bonds (distance) C4'-P energy: -33.766
bonds (distance) P-C4' energy: -29.295
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -159.237474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.237474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.237474 (E_RNA)
where:
Base-Base interactions energy: -47.846
where: short stacking energy: -44.296
Base-Backbone interact. energy: 0.015
local terms energy: -111.406479
where:
bonds (distance) C4'-P energy: -28.579
bonds (distance) P-C4' energy: -37.878
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -173.670795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.670795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.670795 (E_RNA)
where:
Base-Base interactions energy: -84.630
where: short stacking energy: -52.395
Base-Backbone interact. energy: 0.007
local terms energy: -89.047055
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -572.202346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.202346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.202346 (E_RNA)
where:
Base-Base interactions energy: -387.288
where: short stacking energy: -163.686
Base-Backbone interact. energy: -0.018
local terms energy: -184.896171
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -39.684
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -48.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -542.045124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.045124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.045124 (E_RNA)
where:
Base-Base interactions energy: -361.581
where: short stacking energy: -164.967
Base-Backbone interact. energy: -0.256
local terms energy: -180.208276
where:
bonds (distance) C4'-P energy: -26.829
bonds (distance) P-C4' energy: -38.122
flat angles C4'-P-C4' energy: -40.859
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -53.151
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: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -517.610391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.610391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.610391 (E_RNA)
where:
Base-Base interactions energy: -358.952
where: short stacking energy: -132.600
Base-Backbone interact. energy: -0.240
local terms energy: -158.417966
where:
bonds (distance) C4'-P energy: -38.033
bonds (distance) P-C4' energy: -33.150
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -38.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -504.155063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.155063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.155063 (E_RNA)
where:
Base-Base interactions energy: -341.455
where: short stacking energy: -126.383
Base-Backbone interact. energy: 0.405
local terms energy: -163.104751
where:
bonds (distance) C4'-P energy: -34.834
bonds (distance) P-C4' energy: -30.125
flat angles C4'-P-C4' energy: -33.261
flat angles P-C4'-P energy: -26.885
tors. eta vs tors. theta energy: -38.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -413.498852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.498852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.498852 (E_RNA)
where:
Base-Base interactions energy: -266.192
where: short stacking energy: -88.074
Base-Backbone interact. energy: 1.938
local terms energy: -149.245025
where:
bonds (distance) C4'-P energy: -30.264
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -36.366
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -28.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -304.270562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.270562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.270562 (E_RNA)
where:
Base-Base interactions energy: -170.864
where: short stacking energy: -86.981
Base-Backbone interact. energy: -0.102
local terms energy: -133.303967
where:
bonds (distance) C4'-P energy: -32.222
bonds (distance) P-C4' energy: -31.295
flat angles C4'-P-C4' energy: -24.290
flat angles P-C4'-P energy: -15.468
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: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -196.826197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.826197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.826197 (E_RNA)
where:
Base-Base interactions energy: -83.510
where: short stacking energy: -47.622
Base-Backbone interact. energy: -1.972
local terms energy: -111.344925
where:
bonds (distance) C4'-P energy: -28.306
bonds (distance) P-C4' energy: -29.783
flat angles C4'-P-C4' energy: -33.097
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -160.339980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.339980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.339980 (E_RNA)
where:
Base-Base interactions energy: -52.576
where: short stacking energy: -48.689
Base-Backbone interact. energy: -0.430
local terms energy: -107.334135
where:
bonds (distance) C4'-P energy: -34.716
bonds (distance) P-C4' energy: -25.045
flat angles C4'-P-C4' energy: -28.708
flat angles P-C4'-P energy: -20.912
tors. eta vs tors. theta energy: 2.047
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: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -162.435285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.435285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.435285 (E_RNA)
where:
Base-Base interactions energy: -63.258
where: short stacking energy: -48.790
Base-Backbone interact. energy: -1.005
local terms energy: -98.173109
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -41.865
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: 2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -143.717156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.717156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.717156 (E_RNA)
where:
Base-Base interactions energy: -55.272
where: short stacking energy: -31.556
Base-Backbone interact. energy: -0.216
local terms energy: -88.229324
where:
bonds (distance) C4'-P energy: -25.026
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: 6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -561.265295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.265295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.265295 (E_RNA)
where:
Base-Base interactions energy: -380.697
where: short stacking energy: -166.507
Base-Backbone interact. energy: -0.627
local terms energy: -179.941023
where:
bonds (distance) C4'-P energy: -39.240
bonds (distance) P-C4' energy: -30.707
flat angles C4'-P-C4' energy: -34.173
flat angles P-C4'-P energy: -24.929
tors. eta vs tors. theta energy: -50.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -520.924718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.924718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.924718 (E_RNA)
where:
Base-Base interactions energy: -338.005
where: short stacking energy: -152.056
Base-Backbone interact. energy: -1.010
local terms energy: -181.910441
where:
bonds (distance) C4'-P energy: -29.601
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -38.187
flat angles P-C4'-P energy: -29.812
tors. eta vs tors. theta energy: -52.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -552.858446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.858446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.858446 (E_RNA)
where:
Base-Base interactions energy: -389.875
where: short stacking energy: -139.237
Base-Backbone interact. energy: -1.371
local terms energy: -161.612510
where:
bonds (distance) C4'-P energy: -32.352
bonds (distance) P-C4' energy: -36.405
flat angles C4'-P-C4' energy: -29.814
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -41.860
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: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -509.419991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.419991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.419991 (E_RNA)
where:
Base-Base interactions energy: -345.388
where: short stacking energy: -139.014
Base-Backbone interact. energy: -0.221
local terms energy: -163.811593
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -31.762
flat angles C4'-P-C4' energy: -33.754
flat angles P-C4'-P energy: -27.076
tors. eta vs tors. theta energy: -43.299
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: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -419.273413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.273413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.273413 (E_RNA)
where:
Base-Base interactions energy: -279.165
where: short stacking energy: -110.407
Base-Backbone interact. energy: -1.711
local terms energy: -138.397970
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -29.121
tors. eta vs tors. theta energy: -27.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -321.384689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.384689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.384689 (E_RNA)
where:
Base-Base interactions energy: -197.741
where: short stacking energy: -100.246
Base-Backbone interact. energy: -0.925
local terms energy: -122.718198
where:
bonds (distance) C4'-P energy: -29.296
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -26.403
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -22.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -180.988727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.988727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.988727 (E_RNA)
where:
Base-Base interactions energy: -66.459
where: short stacking energy: -62.419
Base-Backbone interact. energy: 1.064
local terms energy: -115.593841
where:
bonds (distance) C4'-P energy: -32.484
bonds (distance) P-C4' energy: -31.106
flat angles C4'-P-C4' energy: -29.633
flat angles P-C4'-P energy: -19.535
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -165.221565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.221565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.221565 (E_RNA)
where:
Base-Base interactions energy: -56.268
where: short stacking energy: -33.950
Base-Backbone interact. energy: -0.724
local terms energy: -108.228580
where:
bonds (distance) C4'-P energy: -35.892
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -28.927
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -170.653485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.653485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.653485 (E_RNA)
where:
Base-Base interactions energy: -59.277
where: short stacking energy: -48.375
Base-Backbone interact. energy: -1.404
local terms energy: -109.972159
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -32.949
flat angles C4'-P-C4' energy: -26.579
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -150.920258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.920258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.920258 (E_RNA)
where:
Base-Base interactions energy: -48.970
where: short stacking energy: -35.553
Base-Backbone interact. energy: -1.494
local terms energy: -100.456256
where:
bonds (distance) C4'-P energy: -34.608
bonds (distance) P-C4' energy: -26.982
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -560.146878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.146878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.146878 (E_RNA)
where:
Base-Base interactions energy: -363.773
where: short stacking energy: -154.455
Base-Backbone interact. energy: -0.107
local terms energy: -196.267052
where:
bonds (distance) C4'-P energy: -37.440
bonds (distance) P-C4' energy: -39.666
flat angles C4'-P-C4' energy: -39.743
flat angles P-C4'-P energy: -26.445
tors. eta vs tors. theta energy: -52.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -538.501996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.501996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.501996 (E_RNA)
where:
Base-Base interactions energy: -378.371
where: short stacking energy: -123.019
Base-Backbone interact. energy: 2.169
local terms energy: -162.300599
where:
bonds (distance) C4'-P energy: -34.556
bonds (distance) P-C4' energy: -35.353
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -35.178
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: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -517.123603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.123603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.123603 (E_RNA)
where:
Base-Base interactions energy: -346.619
where: short stacking energy: -150.602
Base-Backbone interact. energy: -0.152
local terms energy: -170.352487
where:
bonds (distance) C4'-P energy: -30.710
bonds (distance) P-C4' energy: -29.706
flat angles C4'-P-C4' energy: -38.652
flat angles P-C4'-P energy: -23.995
tors. eta vs tors. theta energy: -47.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -494.324248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.324248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.324248 (E_RNA)
where:
Base-Base interactions energy: -326.250
where: short stacking energy: -147.533
Base-Backbone interact. energy: -0.340
local terms energy: -167.734197
where:
bonds (distance) C4'-P energy: -30.182
bonds (distance) P-C4' energy: -30.379
flat angles C4'-P-C4' energy: -32.969
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -47.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -401.523305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.523305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.523305 (E_RNA)
where:
Base-Base interactions energy: -258.111
where: short stacking energy: -109.491
Base-Backbone interact. energy: -0.591
local terms energy: -142.821175
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -30.490
flat angles C4'-P-C4' energy: -32.417
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -26.792
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: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -327.491452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.491452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.491452 (E_RNA)
where:
Base-Base interactions energy: -191.024
where: short stacking energy: -97.393
Base-Backbone interact. energy: 0.232
local terms energy: -136.698817
where:
bonds (distance) C4'-P energy: -27.547
bonds (distance) P-C4' energy: -37.282
flat angles C4'-P-C4' energy: -32.173
flat angles P-C4'-P energy: -9.717
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: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -204.157172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.157172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.157172 (E_RNA)
where:
Base-Base interactions energy: -86.695
where: short stacking energy: -58.766
Base-Backbone interact. energy: -1.292
local terms energy: -116.169714
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -31.198
flat angles C4'-P-C4' energy: -35.866
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -9.649
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: 8, replica: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -167.852124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.852124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.852124 (E_RNA)
where:
Base-Base interactions energy: -51.429
where: short stacking energy: -47.938
Base-Backbone interact. energy: -0.983
local terms energy: -115.439990
where:
bonds (distance) C4'-P energy: -34.991
bonds (distance) P-C4' energy: -37.529
flat angles C4'-P-C4' energy: -21.924
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -167.189411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.189411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.189411 (E_RNA)
where:
Base-Base interactions energy: -53.404
where: short stacking energy: -39.210
Base-Backbone interact. energy: -0.621
local terms energy: -113.164333
where:
bonds (distance) C4'-P energy: -36.545
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -26.381
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: 0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -146.634818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.634818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.634818 (E_RNA)
where:
Base-Base interactions energy: -33.382
where: short stacking energy: -31.034
Base-Backbone interact. energy: -0.524
local terms energy: -112.729769
where:
bonds (distance) C4'-P energy: -31.952
bonds (distance) P-C4' energy: -28.548
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -25.962
tors. eta vs tors. theta energy: -0.808
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: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -567.143630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.143630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.143630 (E_RNA)
where:
Base-Base interactions energy: -374.951
where: short stacking energy: -169.028
Base-Backbone interact. energy: 0.580
local terms energy: -192.772531
where:
bonds (distance) C4'-P energy: -37.845
bonds (distance) P-C4' energy: -32.090
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -26.838
tors. eta vs tors. theta energy: -58.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -538.750333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.750333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.750333 (E_RNA)
where:
Base-Base interactions energy: -379.197
where: short stacking energy: -137.642
Base-Backbone interact. energy: -0.591
local terms energy: -158.962978
where:
bonds (distance) C4'-P energy: -32.120
bonds (distance) P-C4' energy: -26.969
flat angles C4'-P-C4' energy: -30.783
flat angles P-C4'-P energy: -25.883
tors. eta vs tors. theta energy: -43.208
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: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -523.559204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.559204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.559204 (E_RNA)
where:
Base-Base interactions energy: -340.084
where: short stacking energy: -155.476
Base-Backbone interact. energy: -0.226
local terms energy: -183.249462
where:
bonds (distance) C4'-P energy: -35.549
bonds (distance) P-C4' energy: -36.884
flat angles C4'-P-C4' energy: -34.778
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -47.962
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: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -483.586020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.586020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.586020 (E_RNA)
where:
Base-Base interactions energy: -313.075
where: short stacking energy: -141.141
Base-Backbone interact. energy: -0.900
local terms energy: -169.611659
where:
bonds (distance) C4'-P energy: -34.247
bonds (distance) P-C4' energy: -33.731
flat angles C4'-P-C4' energy: -33.932
flat angles P-C4'-P energy: -21.413
tors. eta vs tors. theta energy: -46.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -396.528215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.528215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.528215 (E_RNA)
where:
Base-Base interactions energy: -266.579
where: short stacking energy: -109.908
Base-Backbone interact. energy: -2.448
local terms energy: -127.502143
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -32.420
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -29.782
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: 366
Temperature: 1.150000
Total energy: -361.787255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.787255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.787255 (E_RNA)
where:
Base-Base interactions energy: -213.579
where: short stacking energy: -103.386
Base-Backbone interact. energy: -0.222
local terms energy: -147.985803
where:
bonds (distance) C4'-P energy: -27.098
bonds (distance) P-C4' energy: -31.548
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -30.886
tors. eta vs tors. theta energy: -35.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -205.727882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.727882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.727882 (E_RNA)
where:
Base-Base interactions energy: -75.672
where: short stacking energy: -68.042
Base-Backbone interact. energy: 1.873
local terms energy: -131.929502
where:
bonds (distance) C4'-P energy: -33.801
bonds (distance) P-C4' energy: -36.142
flat angles C4'-P-C4' energy: -31.334
flat angles P-C4'-P energy: -25.697
tors. eta vs tors. theta energy: -4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -172.083699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.083699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.083699 (E_RNA)
where:
Base-Base interactions energy: -66.591
where: short stacking energy: -46.517
Base-Backbone interact. energy: -0.297
local terms energy: -105.195334
where:
bonds (distance) C4'-P energy: -36.061
bonds (distance) P-C4' energy: -26.967
flat angles C4'-P-C4' energy: -29.985
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: 0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -185.202306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.202306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.202306 (E_RNA)
where:
Base-Base interactions energy: -87.965
where: short stacking energy: -59.493
Base-Backbone interact. energy: -0.821
local terms energy: -96.416812
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -28.540
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -157.302513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.302513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.302513 (E_RNA)
where:
Base-Base interactions energy: -47.205
where: short stacking energy: -31.182
Base-Backbone interact. energy: 0.072
local terms energy: -110.170194
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -34.546
flat angles C4'-P-C4' energy: -30.574
flat angles P-C4'-P energy: -20.191
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: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -565.245215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.245215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.245215 (E_RNA)
where:
Base-Base interactions energy: -384.621
where: short stacking energy: -170.389
Base-Backbone interact. energy: -0.003
local terms energy: -180.620750
where:
bonds (distance) C4'-P energy: -28.671
bonds (distance) P-C4' energy: -35.369
flat angles C4'-P-C4' energy: -36.706
flat angles P-C4'-P energy: -26.336
tors. eta vs tors. theta energy: -53.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -536.292264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.292264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.292264 (E_RNA)
where:
Base-Base interactions energy: -358.636
where: short stacking energy: -125.058
Base-Backbone interact. energy: -1.278
local terms energy: -176.378999
where:
bonds (distance) C4'-P energy: -35.086
bonds (distance) P-C4' energy: -31.247
flat angles C4'-P-C4' energy: -35.358
flat angles P-C4'-P energy: -26.903
tors. eta vs tors. theta energy: -47.785
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: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -502.157564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.157564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.157564 (E_RNA)
where:
Base-Base interactions energy: -326.606
where: short stacking energy: -149.867
Base-Backbone interact. energy: -0.037
local terms energy: -175.514668
where:
bonds (distance) C4'-P energy: -35.578
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -34.989
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -52.521
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: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -497.862961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.862961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.862961 (E_RNA)
where:
Base-Base interactions energy: -331.265
where: short stacking energy: -150.886
Base-Backbone interact. energy: -0.231
local terms energy: -166.367027
where:
bonds (distance) C4'-P energy: -34.827
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -34.640
flat angles P-C4'-P energy: -26.200
tors. eta vs tors. theta energy: -41.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -417.171395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.171395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.171395 (E_RNA)
where:
Base-Base interactions energy: -257.920
where: short stacking energy: -117.724
Base-Backbone interact. energy: 2.206
local terms energy: -161.457927
where:
bonds (distance) C4'-P energy: -33.808
bonds (distance) P-C4' energy: -39.968
flat angles C4'-P-C4' energy: -33.415
flat angles P-C4'-P energy: -25.673
tors. eta vs tors. theta energy: -28.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -342.911010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.911010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.911010 (E_RNA)
where:
Base-Base interactions energy: -204.139
where: short stacking energy: -95.560
Base-Backbone interact. energy: 2.776
local terms energy: -141.548290
where:
bonds (distance) C4'-P energy: -34.616
bonds (distance) P-C4' energy: -31.512
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -23.751
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: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -202.320152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.320152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.320152 (E_RNA)
where:
Base-Base interactions energy: -99.766
where: short stacking energy: -57.182
Base-Backbone interact. energy: 1.183
local terms energy: -103.736958
where:
bonds (distance) C4'-P energy: -25.921
bonds (distance) P-C4' energy: -30.448
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -167.255900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.255900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.255900 (E_RNA)
where:
Base-Base interactions energy: -65.536
where: short stacking energy: -46.118
Base-Backbone interact. energy: -0.662
local terms energy: -101.058400
where:
bonds (distance) C4'-P energy: -27.798
bonds (distance) P-C4' energy: -33.106
flat angles C4'-P-C4' energy: -28.530
flat angles P-C4'-P energy: -2.333
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -158.044921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.044921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.044921 (E_RNA)
where:
Base-Base interactions energy: -55.602
where: short stacking energy: -39.985
Base-Backbone interact. energy: -0.175
local terms energy: -102.267943
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -30.968
flat angles C4'-P-C4' energy: -30.746
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: 1.794
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: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -147.339859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.339859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.339859 (E_RNA)
where:
Base-Base interactions energy: -51.838
where: short stacking energy: -33.500
Base-Backbone interact. energy: -1.113
local terms energy: -94.389162
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -31.824
flat angles C4'-P-C4' energy: -29.729
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: 2.730
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: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -566.638381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.638381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.638381 (E_RNA)
where:
Base-Base interactions energy: -391.800
where: short stacking energy: -140.377
Base-Backbone interact. energy: -0.498
local terms energy: -174.339621
where:
bonds (distance) C4'-P energy: -36.024
bonds (distance) P-C4' energy: -38.391
flat angles C4'-P-C4' energy: -37.974
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -42.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -552.658868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.658868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.658868 (E_RNA)
where:
Base-Base interactions energy: -374.937
where: short stacking energy: -164.275
Base-Backbone interact. energy: -1.189
local terms energy: -176.532423
where:
bonds (distance) C4'-P energy: -30.694
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -33.020
flat angles P-C4'-P energy: -23.006
tors. eta vs tors. theta energy: -55.446
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: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -507.329937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.329937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.329937 (E_RNA)
where:
Base-Base interactions energy: -336.285
where: short stacking energy: -157.462
Base-Backbone interact. energy: 0.471
local terms energy: -171.515727
where:
bonds (distance) C4'-P energy: -28.457
bonds (distance) P-C4' energy: -42.845
flat angles C4'-P-C4' energy: -37.510
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -40.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -488.533976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.533976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.533976 (E_RNA)
where:
Base-Base interactions energy: -305.897
where: short stacking energy: -130.149
Base-Backbone interact. energy: -0.227
local terms energy: -182.410457
where:
bonds (distance) C4'-P energy: -37.345
bonds (distance) P-C4' energy: -35.694
flat angles C4'-P-C4' energy: -38.949
flat angles P-C4'-P energy: -27.025
tors. eta vs tors. theta energy: -43.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -389.286092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.286092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.286092 (E_RNA)
where:
Base-Base interactions energy: -254.993
where: short stacking energy: -109.479
Base-Backbone interact. energy: -0.439
local terms energy: -133.853686
where:
bonds (distance) C4'-P energy: -28.483
bonds (distance) P-C4' energy: -26.056
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -30.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -281.342763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.342763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.342763 (E_RNA)
where:
Base-Base interactions energy: -163.456
where: short stacking energy: -86.193
Base-Backbone interact. energy: -0.320
local terms energy: -117.566445
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -27.745
flat angles P-C4'-P energy: -14.300
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: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -222.338018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.338018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.338018 (E_RNA)
where:
Base-Base interactions energy: -114.306
where: short stacking energy: -70.353
Base-Backbone interact. energy: 0.653
local terms energy: -108.684592
where:
bonds (distance) C4'-P energy: -28.916
bonds (distance) P-C4' energy: -28.874
flat angles C4'-P-C4' energy: -30.752
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -181.316807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.316807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.316807 (E_RNA)
where:
Base-Base interactions energy: -69.587
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.483
local terms energy: -111.247530
where:
bonds (distance) C4'-P energy: -28.429
bonds (distance) P-C4' energy: -34.517
flat angles C4'-P-C4' energy: -25.748
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -10.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -168.146199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.146199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.146199 (E_RNA)
where:
Base-Base interactions energy: -65.501
where: short stacking energy: -47.389
Base-Backbone interact. energy: -1.446
local terms energy: -101.199183
where:
bonds (distance) C4'-P energy: -30.631
bonds (distance) P-C4' energy: -37.194
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -157.083004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.083004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.083004 (E_RNA)
where:
Base-Base interactions energy: -47.239
where: short stacking energy: -42.195
Base-Backbone interact. energy: 0.047
local terms energy: -109.891735
where:
bonds (distance) C4'-P energy: -27.124
bonds (distance) P-C4' energy: -36.224
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -567.542289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.542289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.542289 (E_RNA)
where:
Base-Base interactions energy: -392.561
where: short stacking energy: -143.156
Base-Backbone interact. energy: -2.576
local terms energy: -172.405809
where:
bonds (distance) C4'-P energy: -35.185
bonds (distance) P-C4' energy: -34.609
flat angles C4'-P-C4' energy: -36.890
flat angles P-C4'-P energy: -21.816
tors. eta vs tors. theta energy: -43.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -556.144273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.144273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.144273 (E_RNA)
where:
Base-Base interactions energy: -372.549
where: short stacking energy: -159.685
Base-Backbone interact. energy: -0.177
local terms energy: -183.418143
where:
bonds (distance) C4'-P energy: -33.107
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -36.255
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -54.531
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: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -521.095891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.095891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.095891 (E_RNA)
where:
Base-Base interactions energy: -359.831
where: short stacking energy: -127.478
Base-Backbone interact. energy: -0.224
local terms energy: -161.040601
where:
bonds (distance) C4'-P energy: -25.027
bonds (distance) P-C4' energy: -35.269
flat angles C4'-P-C4' energy: -35.521
flat angles P-C4'-P energy: -27.633
tors. eta vs tors. theta energy: -37.590
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: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -482.238529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.238529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.238529 (E_RNA)
where:
Base-Base interactions energy: -314.211
where: short stacking energy: -137.104
Base-Backbone interact. energy: -0.424
local terms energy: -167.603080
where:
bonds (distance) C4'-P energy: -33.691
bonds (distance) P-C4' energy: -30.564
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -43.590
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: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -375.613832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.613832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.613832 (E_RNA)
where:
Base-Base interactions energy: -248.950
where: short stacking energy: -112.470
Base-Backbone interact. energy: 0.277
local terms energy: -126.940118
where:
bonds (distance) C4'-P energy: -31.028
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -35.470
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -277.184022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.184022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.184022 (E_RNA)
where:
Base-Base interactions energy: -136.521
where: short stacking energy: -78.455
Base-Backbone interact. energy: -1.105
local terms energy: -139.558026
where:
bonds (distance) C4'-P energy: -29.752
bonds (distance) P-C4' energy: -33.051
flat angles C4'-P-C4' energy: -34.746
flat angles P-C4'-P energy: -21.295
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -192.705890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.705890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.705890 (E_RNA)
where:
Base-Base interactions energy: -75.749
where: short stacking energy: -56.291
Base-Backbone interact. energy: 2.232
local terms energy: -119.189350
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -36.313
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -224.798071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.798071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.798071 (E_RNA)
where:
Base-Base interactions energy: -113.235
where: short stacking energy: -71.451
Base-Backbone interact. energy: 1.104
local terms energy: -112.667047
where:
bonds (distance) C4'-P energy: -29.625
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -32.685
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -174.487404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.487404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.487404 (E_RNA)
where:
Base-Base interactions energy: -60.596
where: short stacking energy: -55.098
Base-Backbone interact. energy: -0.718
local terms energy: -113.172881
where:
bonds (distance) C4'-P energy: -30.136
bonds (distance) P-C4' energy: -36.878
flat angles C4'-P-C4' energy: -30.234
flat angles P-C4'-P energy: -14.233
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: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -159.119398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.119398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.119398 (E_RNA)
where:
Base-Base interactions energy: -69.883
where: short stacking energy: -38.404
Base-Backbone interact. energy: -0.826
local terms energy: -88.410050
where:
bonds (distance) C4'-P energy: -28.251
bonds (distance) P-C4' energy: -30.042
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: 10.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -569.656728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.656728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.656728 (E_RNA)
where:
Base-Base interactions energy: -379.229
where: short stacking energy: -167.986
Base-Backbone interact. energy: -0.087
local terms energy: -190.340634
where:
bonds (distance) C4'-P energy: -32.981
bonds (distance) P-C4' energy: -36.132
flat angles C4'-P-C4' energy: -34.371
flat angles P-C4'-P energy: -28.763
tors. eta vs tors. theta energy: -58.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -547.736635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.736635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.736635 (E_RNA)
where:
Base-Base interactions energy: -392.815
where: short stacking energy: -140.595
Base-Backbone interact. energy: -1.660
local terms energy: -153.261529
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -38.610
flat angles C4'-P-C4' energy: -27.972
flat angles P-C4'-P energy: -20.592
tors. eta vs tors. theta energy: -45.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -534.212738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.212738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.212738 (E_RNA)
where:
Base-Base interactions energy: -358.079
where: short stacking energy: -138.192
Base-Backbone interact. energy: -0.021
local terms energy: -176.112372
where:
bonds (distance) C4'-P energy: -33.644
bonds (distance) P-C4' energy: -35.504
flat angles C4'-P-C4' energy: -38.829
flat angles P-C4'-P energy: -24.708
tors. eta vs tors. theta energy: -43.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -481.748630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.748630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.748630 (E_RNA)
where:
Base-Base interactions energy: -312.491
where: short stacking energy: -151.774
Base-Backbone interact. energy: -0.268
local terms energy: -168.988948
where:
bonds (distance) C4'-P energy: -27.746
bonds (distance) P-C4' energy: -37.790
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -47.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -378.091773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.091773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.091773 (E_RNA)
where:
Base-Base interactions energy: -239.101
where: short stacking energy: -96.306
Base-Backbone interact. energy: -1.175
local terms energy: -137.816431
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -33.094
flat angles C4'-P-C4' energy: -29.328
flat angles P-C4'-P energy: -25.345
tors. eta vs tors. theta energy: -23.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -268.788347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.788347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.788347 (E_RNA)
where:
Base-Base interactions energy: -141.231
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.615
local terms energy: -126.942659
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -36.147
flat angles C4'-P-C4' energy: -31.065
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: -6.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -209.158289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.158289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.158289 (E_RNA)
where:
Base-Base interactions energy: -103.504
where: short stacking energy: -62.845
Base-Backbone interact. energy: 0.044
local terms energy: -105.698439
where:
bonds (distance) C4'-P energy: -27.688
bonds (distance) P-C4' energy: -28.894
flat angles C4'-P-C4' energy: -25.282
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -175.353141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.353141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.353141 (E_RNA)
where:
Base-Base interactions energy: -52.041
where: short stacking energy: -46.039
Base-Backbone interact. energy: -0.410
local terms energy: -122.902081
where:
bonds (distance) C4'-P energy: -31.494
bonds (distance) P-C4' energy: -35.036
flat angles C4'-P-C4' energy: -36.659
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -3.623
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: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -152.172961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.172961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.172961 (E_RNA)
where:
Base-Base interactions energy: -57.380
where: short stacking energy: -46.250
Base-Backbone interact. energy: -0.871
local terms energy: -93.921425
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -24.155
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -156.227141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.227141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.227141 (E_RNA)
where:
Base-Base interactions energy: -66.835
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.627
local terms energy: -88.765097
where:
bonds (distance) C4'-P energy: -34.012
bonds (distance) P-C4' energy: -31.336
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: 3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -568.052456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.052456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.052456 (E_RNA)
where:
Base-Base interactions energy: -386.688
where: short stacking energy: -162.087
Base-Backbone interact. energy: -0.284
local terms energy: -181.080381
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -40.601
flat angles C4'-P-C4' energy: -41.850
flat angles P-C4'-P energy: -26.788
tors. eta vs tors. theta energy: -47.351
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: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -533.888988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.888988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.888988 (E_RNA)
where:
Base-Base interactions energy: -351.486
where: short stacking energy: -142.145
Base-Backbone interact. energy: -1.111
local terms energy: -181.292060
where:
bonds (distance) C4'-P energy: -37.343
bonds (distance) P-C4' energy: -36.059
flat angles C4'-P-C4' energy: -37.318
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -44.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -536.424227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.424227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.424227 (E_RNA)
where:
Base-Base interactions energy: -376.562
where: short stacking energy: -147.412
Base-Backbone interact. energy: -0.680
local terms energy: -159.182240
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -34.648
flat angles C4'-P-C4' energy: -32.497
flat angles P-C4'-P energy: -22.617
tors. eta vs tors. theta energy: -39.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -462.414975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.414975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.414975 (E_RNA)
where:
Base-Base interactions energy: -292.240
where: short stacking energy: -141.221
Base-Backbone interact. energy: -0.511
local terms energy: -169.663753
where:
bonds (distance) C4'-P energy: -29.649
bonds (distance) P-C4' energy: -34.508
flat angles C4'-P-C4' energy: -35.599
flat angles P-C4'-P energy: -26.247
tors. eta vs tors. theta energy: -43.661
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: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -350.948011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.948011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.948011 (E_RNA)
where:
Base-Base interactions energy: -214.194
where: short stacking energy: -103.954
Base-Backbone interact. energy: 1.366
local terms energy: -138.120158
where:
bonds (distance) C4'-P energy: -25.068
bonds (distance) P-C4' energy: -31.562
flat angles C4'-P-C4' energy: -34.856
flat angles P-C4'-P energy: -25.188
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -290.422471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.422471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.422471 (E_RNA)
where:
Base-Base interactions energy: -167.423
where: short stacking energy: -95.246
Base-Backbone interact. energy: 1.289
local terms energy: -124.288522
where:
bonds (distance) C4'-P energy: -33.663
bonds (distance) P-C4' energy: -27.631
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -173.063044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.063044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.063044 (E_RNA)
where:
Base-Base interactions energy: -71.029
where: short stacking energy: -51.248
Base-Backbone interact. energy: -0.251
local terms energy: -101.783314
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -37.231
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: 0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -171.856960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.856960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.856960 (E_RNA)
where:
Base-Base interactions energy: -65.071
where: short stacking energy: -32.409
Base-Backbone interact. energy: -0.065
local terms energy: -106.720671
where:
bonds (distance) C4'-P energy: -34.433
bonds (distance) P-C4' energy: -34.782
flat angles C4'-P-C4' energy: -25.789
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: 4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -186.911211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.911211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.911211 (E_RNA)
where:
Base-Base interactions energy: -92.118
where: short stacking energy: -54.505
Base-Backbone interact. energy: -0.720
local terms energy: -94.074046
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -28.141
flat angles C4'-P-C4' energy: -27.446
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -176.202150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.202150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.202150 (E_RNA)
where:
Base-Base interactions energy: -83.202
where: short stacking energy: -34.996
Base-Backbone interact. energy: -0.264
local terms energy: -92.736021
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -36.214
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -8.313
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: 1, replica: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -572.750521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.750521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.750521 (E_RNA)
where:
Base-Base interactions energy: -381.110
where: short stacking energy: -169.547
Base-Backbone interact. energy: 0.143
local terms energy: -191.783019
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -37.911
flat angles C4'-P-C4' energy: -41.817
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: -50.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -545.487464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.487464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.487464 (E_RNA)
where:
Base-Base interactions energy: -367.603
where: short stacking energy: -144.347
Base-Backbone interact. energy: -1.190
local terms energy: -176.693934
where:
bonds (distance) C4'-P energy: -27.133
bonds (distance) P-C4' energy: -39.506
flat angles C4'-P-C4' energy: -36.608
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -46.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -490.836800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.836800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.836800 (E_RNA)
where:
Base-Base interactions energy: -319.941
where: short stacking energy: -142.617
Base-Backbone interact. energy: -0.251
local terms energy: -170.644122
where:
bonds (distance) C4'-P energy: -35.306
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -36.599
flat angles P-C4'-P energy: -20.222
tors. eta vs tors. theta energy: -47.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -507.155961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.155961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.155961 (E_RNA)
where:
Base-Base interactions energy: -357.107
where: short stacking energy: -138.505
Base-Backbone interact. energy: -1.363
local terms energy: -148.686133
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -37.320
flat angles P-C4'-P energy: -22.888
tors. eta vs tors. theta energy: -35.922
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: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -340.931293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.931293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.931293 (E_RNA)
where:
Base-Base interactions energy: -213.725
where: short stacking energy: -98.778
Base-Backbone interact. energy: 0.835
local terms energy: -128.041426
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -31.036
flat angles P-C4'-P energy: -14.913
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: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -277.473976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.473976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.473976 (E_RNA)
where:
Base-Base interactions energy: -161.353
where: short stacking energy: -77.609
Base-Backbone interact. energy: 2.382
local terms energy: -118.502395
where:
bonds (distance) C4'-P energy: -26.174
bonds (distance) P-C4' energy: -28.779
flat angles C4'-P-C4' energy: -32.210
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -214.205604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.205604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.205604 (E_RNA)
where:
Base-Base interactions energy: -85.534
where: short stacking energy: -44.002
Base-Backbone interact. energy: -1.395
local terms energy: -127.276249
where:
bonds (distance) C4'-P energy: -32.908
bonds (distance) P-C4' energy: -34.776
flat angles C4'-P-C4' energy: -27.191
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -172.616384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.616384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.616384 (E_RNA)
where:
Base-Base interactions energy: -65.998
where: short stacking energy: -44.936
Base-Backbone interact. energy: 0.806
local terms energy: -107.424780
where:
bonds (distance) C4'-P energy: -30.542
bonds (distance) P-C4' energy: -36.160
flat angles C4'-P-C4' energy: -29.433
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -153.165544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.165544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.165544 (E_RNA)
where:
Base-Base interactions energy: -51.178
where: short stacking energy: -42.974
Base-Backbone interact. energy: -0.121
local terms energy: -101.866643
where:
bonds (distance) C4'-P energy: -28.087
bonds (distance) P-C4' energy: -33.262
flat angles C4'-P-C4' energy: -29.109
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: 7.580
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: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -150.791768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.791768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.791768 (E_RNA)
where:
Base-Base interactions energy: -42.503
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.335
local terms energy: -107.953899
where:
bonds (distance) C4'-P energy: -33.907
bonds (distance) P-C4' energy: -37.309
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: 5.851
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: 373
Temperature: 0.900000
Total energy: -574.702008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.702008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.702008 (E_RNA)
where:
Base-Base interactions energy: -388.719
where: short stacking energy: -162.484
Base-Backbone interact. energy: -0.021
local terms energy: -185.961882
where:
bonds (distance) C4'-P energy: -31.315
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -42.740
flat angles P-C4'-P energy: -30.292
tors. eta vs tors. theta energy: -51.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -526.884276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.884276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.884276 (E_RNA)
where:
Base-Base interactions energy: -348.429
where: short stacking energy: -163.080
Base-Backbone interact. energy: -1.901
local terms energy: -176.554355
where:
bonds (distance) C4'-P energy: -33.570
bonds (distance) P-C4' energy: -33.452
flat angles C4'-P-C4' energy: -34.532
flat angles P-C4'-P energy: -23.865
tors. eta vs tors. theta energy: -51.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -502.675243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.675243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.675243 (E_RNA)
where:
Base-Base interactions energy: -331.226
where: short stacking energy: -141.025
Base-Backbone interact. energy: -0.175
local terms energy: -171.273772
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -29.560
flat angles P-C4'-P energy: -27.916
tors. eta vs tors. theta energy: -49.075
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: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -507.438258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.438258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.438258 (E_RNA)
where:
Base-Base interactions energy: -344.375
where: short stacking energy: -122.307
Base-Backbone interact. energy: -2.051
local terms energy: -161.011744
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -30.811
flat angles C4'-P-C4' energy: -36.768
flat angles P-C4'-P energy: -25.880
tors. eta vs tors. theta energy: -43.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -327.126798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.126798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.126798 (E_RNA)
where:
Base-Base interactions energy: -196.511
where: short stacking energy: -96.396
Base-Backbone interact. energy: -1.067
local terms energy: -129.548826
where:
bonds (distance) C4'-P energy: -33.527
bonds (distance) P-C4' energy: -30.488
flat angles C4'-P-C4' energy: -32.327
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -248.706413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.706413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.706413 (E_RNA)
where:
Base-Base interactions energy: -118.315
where: short stacking energy: -51.425
Base-Backbone interact. energy: 1.079
local terms energy: -131.470099
where:
bonds (distance) C4'-P energy: -36.843
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -13.890
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: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -194.120468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.120468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.120468 (E_RNA)
where:
Base-Base interactions energy: -80.297
where: short stacking energy: -54.341
Base-Backbone interact. energy: 0.467
local terms energy: -114.289680
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -32.339
flat angles C4'-P-C4' energy: -32.283
flat angles P-C4'-P energy: -24.716
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -162.981293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.981293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.981293 (E_RNA)
where:
Base-Base interactions energy: -58.616
where: short stacking energy: -49.911
Base-Backbone interact. energy: 0.102
local terms energy: -104.467835
where:
bonds (distance) C4'-P energy: -35.477
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -13.069
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: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -171.399641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.399641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.399641 (E_RNA)
where:
Base-Base interactions energy: -61.645
where: short stacking energy: -44.380
Base-Backbone interact. energy: -0.478
local terms energy: -109.277212
where:
bonds (distance) C4'-P energy: -33.423
bonds (distance) P-C4' energy: -34.049
flat angles C4'-P-C4' energy: -28.236
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: 3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -145.156410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.156410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.156410 (E_RNA)
where:
Base-Base interactions energy: -47.110
where: short stacking energy: -42.264
Base-Backbone interact. energy: 0.430
local terms energy: -98.475875
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -33.795
flat angles C4'-P-C4' energy: -28.229
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -568.637536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.637536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.637536 (E_RNA)
where:
Base-Base interactions energy: -386.259
where: short stacking energy: -159.875
Base-Backbone interact. energy: -0.159
local terms energy: -182.219017
where:
bonds (distance) C4'-P energy: -34.775
bonds (distance) P-C4' energy: -36.652
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -55.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -526.845235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.845235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.845235 (E_RNA)
where:
Base-Base interactions energy: -363.985
where: short stacking energy: -136.817
Base-Backbone interact. energy: 0.163
local terms energy: -163.022503
where:
bonds (distance) C4'-P energy: -33.302
bonds (distance) P-C4' energy: -36.920
flat angles C4'-P-C4' energy: -37.986
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -39.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -512.440077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.440077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.440077 (E_RNA)
where:
Base-Base interactions energy: -347.022
where: short stacking energy: -147.625
Base-Backbone interact. energy: -0.121
local terms energy: -165.297101
where:
bonds (distance) C4'-P energy: -26.092
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -31.506
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -50.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -499.291013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.291013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.291013 (E_RNA)
where:
Base-Base interactions energy: -350.501
where: short stacking energy: -128.324
Base-Backbone interact. energy: -0.912
local terms energy: -147.877878
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -35.270
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -40.488
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: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -339.796647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.796647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.796647 (E_RNA)
where:
Base-Base interactions energy: -197.351
where: short stacking energy: -96.083
Base-Backbone interact. energy: -0.462
local terms energy: -141.983509
where:
bonds (distance) C4'-P energy: -34.454
bonds (distance) P-C4' energy: -35.692
flat angles C4'-P-C4' energy: -33.204
flat angles P-C4'-P energy: -22.490
tors. eta vs tors. theta energy: -16.143
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: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -267.476652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.476652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.476652 (E_RNA)
where:
Base-Base interactions energy: -123.410
where: short stacking energy: -71.297
Base-Backbone interact. energy: -0.852
local terms energy: -143.214188
where:
bonds (distance) C4'-P energy: -36.504
bonds (distance) P-C4' energy: -29.609
flat angles C4'-P-C4' energy: -37.621
flat angles P-C4'-P energy: -26.596
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -190.129666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.129666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.129666 (E_RNA)
where:
Base-Base interactions energy: -63.033
where: short stacking energy: -54.354
Base-Backbone interact. energy: 2.652
local terms energy: -129.748929
where:
bonds (distance) C4'-P energy: -35.625
bonds (distance) P-C4' energy: -34.531
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -26.341
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -184.554247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.554247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.554247 (E_RNA)
where:
Base-Base interactions energy: -68.282
where: short stacking energy: -36.605
Base-Backbone interact. energy: -1.482
local terms energy: -114.790498
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -26.641
flat angles C4'-P-C4' energy: -34.606
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -175.282838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.282838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.282838 (E_RNA)
where:
Base-Base interactions energy: -84.868
where: short stacking energy: -63.399
Base-Backbone interact. energy: 1.887
local terms energy: -92.301472
where:
bonds (distance) C4'-P energy: -28.757
bonds (distance) P-C4' energy: -32.143
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -152.942819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.942819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.942819 (E_RNA)
where:
Base-Base interactions energy: -55.499
where: short stacking energy: -32.008
Base-Backbone interact. energy: 1.839
local terms energy: -99.283468
where:
bonds (distance) C4'-P energy: -27.089
bonds (distance) P-C4' energy: -38.255
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -20.775
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: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -570.104663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.104663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.104663 (E_RNA)
where:
Base-Base interactions energy: -377.931
where: short stacking energy: -153.234
Base-Backbone interact. energy: -0.555
local terms energy: -191.618100
where:
bonds (distance) C4'-P energy: -37.846
bonds (distance) P-C4' energy: -33.515
flat angles C4'-P-C4' energy: -44.417
flat angles P-C4'-P energy: -23.502
tors. eta vs tors. theta energy: -52.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -522.796594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.796594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.796594 (E_RNA)
where:
Base-Base interactions energy: -358.897
where: short stacking energy: -146.258
Base-Backbone interact. energy: 0.499
local terms energy: -164.398550
where:
bonds (distance) C4'-P energy: -32.579
bonds (distance) P-C4' energy: -30.336
flat angles C4'-P-C4' energy: -32.658
flat angles P-C4'-P energy: -22.858
tors. eta vs tors. theta energy: -45.967
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: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -496.417231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.417231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.417231 (E_RNA)
where:
Base-Base interactions energy: -323.334
where: short stacking energy: -141.009
Base-Backbone interact. energy: -0.664
local terms energy: -172.418564
where:
bonds (distance) C4'-P energy: -34.864
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -33.871
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -47.024
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: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -500.306748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.306748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.306748 (E_RNA)
where:
Base-Base interactions energy: -339.864
where: short stacking energy: -134.665
Base-Backbone interact. energy: -0.682
local terms energy: -159.760992
where:
bonds (distance) C4'-P energy: -31.964
bonds (distance) P-C4' energy: -32.160
flat angles C4'-P-C4' energy: -33.375
flat angles P-C4'-P energy: -23.872
tors. eta vs tors. theta energy: -38.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -341.517188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.517188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.517188 (E_RNA)
where:
Base-Base interactions energy: -213.051
where: short stacking energy: -103.751
Base-Backbone interact. energy: 0.005
local terms energy: -128.471734
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -30.683
flat angles C4'-P-C4' energy: -33.149
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -303.243458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.243458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.243458 (E_RNA)
where:
Base-Base interactions energy: -165.506
where: short stacking energy: -88.066
Base-Backbone interact. energy: -0.431
local terms energy: -137.306608
where:
bonds (distance) C4'-P energy: -32.008
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -32.177
flat angles P-C4'-P energy: -26.271
tors. eta vs tors. theta energy: -15.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -174.066193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.066193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.066193 (E_RNA)
where:
Base-Base interactions energy: -56.481
where: short stacking energy: -39.991
Base-Backbone interact. energy: -0.947
local terms energy: -116.637657
where:
bonds (distance) C4'-P energy: -33.144
bonds (distance) P-C4' energy: -34.103
flat angles C4'-P-C4' energy: -28.713
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: 1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -182.881351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.881351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.881351 (E_RNA)
where:
Base-Base interactions energy: -67.984
where: short stacking energy: -54.887
Base-Backbone interact. energy: -1.067
local terms energy: -113.830133
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -29.252
flat angles C4'-P-C4' energy: -26.707
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -170.364145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.364145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.364145 (E_RNA)
where:
Base-Base interactions energy: -56.245
where: short stacking energy: -55.683
Base-Backbone interact. energy: 1.587
local terms energy: -115.706209
where:
bonds (distance) C4'-P energy: -34.719
bonds (distance) P-C4' energy: -36.738
flat angles C4'-P-C4' energy: -25.259
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: 1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -155.363471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.363471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.363471 (E_RNA)
where:
Base-Base interactions energy: -70.349
where: short stacking energy: -30.185
Base-Backbone interact. energy: -1.147
local terms energy: -83.867425
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -34.135
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: 5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -578.638747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.638747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.638747 (E_RNA)
where:
Base-Base interactions energy: -392.549
where: short stacking energy: -166.073
Base-Backbone interact. energy: -0.013
local terms energy: -186.077150
where:
bonds (distance) C4'-P energy: -33.549
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -37.144
flat angles P-C4'-P energy: -26.650
tors. eta vs tors. theta energy: -55.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -541.555714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.555714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.555714 (E_RNA)
where:
Base-Base interactions energy: -369.515
where: short stacking energy: -136.300
Base-Backbone interact. energy: -0.775
local terms energy: -171.265663
where:
bonds (distance) C4'-P energy: -31.565
bonds (distance) P-C4' energy: -42.341
flat angles C4'-P-C4' energy: -38.725
flat angles P-C4'-P energy: -23.532
tors. eta vs tors. theta energy: -35.104
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: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -505.980699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.980699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.980699 (E_RNA)
where:
Base-Base interactions energy: -329.470
where: short stacking energy: -129.424
Base-Backbone interact. energy: -0.089
local terms energy: -176.422106
where:
bonds (distance) C4'-P energy: -36.462
bonds (distance) P-C4' energy: -37.723
flat angles C4'-P-C4' energy: -40.919
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -42.236
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: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -512.259551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.259551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.259551 (E_RNA)
where:
Base-Base interactions energy: -365.255
where: short stacking energy: -125.467
Base-Backbone interact. energy: -0.910
local terms energy: -146.094619
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -32.839
flat angles C4'-P-C4' energy: -27.668
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -34.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -375.083096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.083096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.083096 (E_RNA)
where:
Base-Base interactions energy: -229.899
where: short stacking energy: -99.265
Base-Backbone interact. energy: -0.559
local terms energy: -144.625076
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -29.972
flat angles C4'-P-C4' energy: -35.311
flat angles P-C4'-P energy: -24.582
tors. eta vs tors. theta energy: -28.241
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: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -287.153937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.153937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.153937 (E_RNA)
where:
Base-Base interactions energy: -151.016
where: short stacking energy: -91.527
Base-Backbone interact. energy: -0.909
local terms energy: -135.228936
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -38.420
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -26.059
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -193.240970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.240970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.240970 (E_RNA)
where:
Base-Base interactions energy: -80.069
where: short stacking energy: -51.295
Base-Backbone interact. energy: 2.430
local terms energy: -115.602155
where:
bonds (distance) C4'-P energy: -25.747
bonds (distance) P-C4' energy: -30.861
flat angles C4'-P-C4' energy: -32.387
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -6.266
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: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -181.446288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.446288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.446288 (E_RNA)
where:
Base-Base interactions energy: -62.937
where: short stacking energy: -60.896
Base-Backbone interact. energy: 0.576
local terms energy: -119.085633
where:
bonds (distance) C4'-P energy: -28.207
bonds (distance) P-C4' energy: -30.938
flat angles C4'-P-C4' energy: -36.358
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -157.865630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.865630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.865630 (E_RNA)
where:
Base-Base interactions energy: -56.694
where: short stacking energy: -49.884
Base-Backbone interact. energy: 0.461
local terms energy: -101.632298
where:
bonds (distance) C4'-P energy: -32.626
bonds (distance) P-C4' energy: -35.850
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -144.371119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.371119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.371119 (E_RNA)
where:
Base-Base interactions energy: -48.346
where: short stacking energy: -43.648
Base-Backbone interact. energy: -0.199
local terms energy: -95.826386
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -28.297
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -12.415
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: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -573.528485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.528485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.528485 (E_RNA)
where:
Base-Base interactions energy: -375.225
where: short stacking energy: -165.754
Base-Backbone interact. energy: -0.384
local terms energy: -197.919691
where:
bonds (distance) C4'-P energy: -37.916
bonds (distance) P-C4' energy: -37.324
flat angles C4'-P-C4' energy: -38.686
flat angles P-C4'-P energy: -28.624
tors. eta vs tors. theta energy: -55.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -501.090513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.090513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.090513 (E_RNA)
where:
Base-Base interactions energy: -326.127
where: short stacking energy: -142.194
Base-Backbone interact. energy: -0.677
local terms energy: -174.286067
where:
bonds (distance) C4'-P energy: -39.374
bonds (distance) P-C4' energy: -33.449
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -23.197
tors. eta vs tors. theta energy: -44.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -519.709263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.709263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.709263 (E_RNA)
where:
Base-Base interactions energy: -367.133
where: short stacking energy: -143.002
Base-Backbone interact. energy: -0.874
local terms energy: -151.702347
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -36.367
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -23.311
tors. eta vs tors. theta energy: -37.371
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: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -507.684044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.684044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.684044 (E_RNA)
where:
Base-Base interactions energy: -335.297
where: short stacking energy: -126.491
Base-Backbone interact. energy: -3.126
local terms energy: -169.261116
where:
bonds (distance) C4'-P energy: -30.978
bonds (distance) P-C4' energy: -35.165
flat angles C4'-P-C4' energy: -41.699
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -41.770
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: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -348.845816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.845816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.845816 (E_RNA)
where:
Base-Base interactions energy: -214.136
where: short stacking energy: -87.221
Base-Backbone interact. energy: -1.632
local terms energy: -133.077997
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -36.019
flat angles C4'-P-C4' energy: -25.400
flat angles P-C4'-P energy: -21.332
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -258.080744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.080744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.080744 (E_RNA)
where:
Base-Base interactions energy: -124.042
where: short stacking energy: -70.531
Base-Backbone interact. energy: -0.360
local terms energy: -133.678649
where:
bonds (distance) C4'-P energy: -31.050
bonds (distance) P-C4' energy: -34.796
flat angles C4'-P-C4' energy: -37.105
flat angles P-C4'-P energy: -18.380
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: 7, replica: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -175.877689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.877689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.877689 (E_RNA)
where:
Base-Base interactions energy: -65.161
where: short stacking energy: -59.055
Base-Backbone interact. energy: -0.494
local terms energy: -110.222900
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -37.863
flat angles C4'-P-C4' energy: -25.242
flat angles P-C4'-P energy: -16.837
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: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -172.980458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.980458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.980458 (E_RNA)
where:
Base-Base interactions energy: -62.796
where: short stacking energy: -45.928
Base-Backbone interact. energy: -0.228
local terms energy: -109.956393
where:
bonds (distance) C4'-P energy: -32.821
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -25.801
flat angles P-C4'-P energy: -20.015
tors. eta vs tors. theta energy: 1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -158.326133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.326133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.326133 (E_RNA)
where:
Base-Base interactions energy: -63.829
where: short stacking energy: -48.041
Base-Backbone interact. energy: -0.511
local terms energy: -93.986216
where:
bonds (distance) C4'-P energy: -30.527
bonds (distance) P-C4' energy: -31.383
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: 2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -154.635676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.635676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.635676 (E_RNA)
where:
Base-Base interactions energy: -71.579
where: short stacking energy: -44.173
Base-Backbone interact. energy: 5.738
local terms energy: -88.794620
where:
bonds (distance) C4'-P energy: -30.121
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -32.391
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: 6.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -535.798230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.798230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.798230 (E_RNA)
where:
Base-Base interactions energy: -362.458
where: short stacking energy: -154.403
Base-Backbone interact. energy: -3.131
local terms energy: -170.209754
where:
bonds (distance) C4'-P energy: -34.745
bonds (distance) P-C4' energy: -33.129
flat angles C4'-P-C4' energy: -32.530
flat angles P-C4'-P energy: -24.694
tors. eta vs tors. theta energy: -45.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -554.366589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.366589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.366589 (E_RNA)
where:
Base-Base interactions energy: -375.715
where: short stacking energy: -154.548
Base-Backbone interact. energy: -0.151
local terms energy: -178.501244
where:
bonds (distance) C4'-P energy: -26.904
bonds (distance) P-C4' energy: -35.598
flat angles C4'-P-C4' energy: -39.766
flat angles P-C4'-P energy: -26.873
tors. eta vs tors. theta energy: -49.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -510.825481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.825481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.825481 (E_RNA)
where:
Base-Base interactions energy: -345.004
where: short stacking energy: -124.256
Base-Backbone interact. energy: 0.941
local terms energy: -166.762525
where:
bonds (distance) C4'-P energy: -34.906
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -36.987
flat angles P-C4'-P energy: -22.727
tors. eta vs tors. theta energy: -38.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -500.106583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.106583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.106583 (E_RNA)
where:
Base-Base interactions energy: -342.171
where: short stacking energy: -138.649
Base-Backbone interact. energy: -1.272
local terms energy: -156.663711
where:
bonds (distance) C4'-P energy: -37.243
bonds (distance) P-C4' energy: -34.096
flat angles C4'-P-C4' energy: -29.530
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -39.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -352.064944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.064944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.064944 (E_RNA)
where:
Base-Base interactions energy: -208.698
where: short stacking energy: -107.756
Base-Backbone interact. energy: 0.541
local terms energy: -143.907881
where:
bonds (distance) C4'-P energy: -30.122
bonds (distance) P-C4' energy: -33.788
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -31.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -236.838558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.838558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.838558 (E_RNA)
where:
Base-Base interactions energy: -114.046
where: short stacking energy: -72.131
Base-Backbone interact. energy: -1.453
local terms energy: -121.340221
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -38.872
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -191.107424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.107424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.107424 (E_RNA)
where:
Base-Base interactions energy: -68.116
where: short stacking energy: -58.954
Base-Backbone interact. energy: -0.603
local terms energy: -122.388409
where:
bonds (distance) C4'-P energy: -28.873
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -34.212
flat angles P-C4'-P energy: -30.171
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: 8, replica: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -177.844583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.844583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.844583 (E_RNA)
where:
Base-Base interactions energy: -80.403
where: short stacking energy: -47.127
Base-Backbone interact. energy: 0.263
local terms energy: -97.704083
where:
bonds (distance) C4'-P energy: -33.829
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -30.445
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -154.067210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.067210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.067210 (E_RNA)
where:
Base-Base interactions energy: -41.481
where: short stacking energy: -27.617
Base-Backbone interact. energy: -0.682
local terms energy: -111.904109
where:
bonds (distance) C4'-P energy: -29.928
bonds (distance) P-C4' energy: -36.978
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -23.014
tors. eta vs tors. theta energy: 0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -137.088976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.088976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.088976 (E_RNA)
where:
Base-Base interactions energy: -42.478
where: short stacking energy: -31.086
Base-Backbone interact. energy: -2.444
local terms energy: -92.167260
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -34.486
flat angles C4'-P-C4' energy: -26.889
flat angles P-C4'-P energy: -20.952
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: 1, replica: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -538.363641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.363641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.363641 (E_RNA)
where:
Base-Base interactions energy: -366.922
where: short stacking energy: -161.854
Base-Backbone interact. energy: -0.896
local terms energy: -170.546066
where:
bonds (distance) C4'-P energy: -29.888
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -33.932
flat angles P-C4'-P energy: -29.176
tors. eta vs tors. theta energy: -42.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -555.983203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.983203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.983203 (E_RNA)
where:
Base-Base interactions energy: -375.200
where: short stacking energy: -152.557
Base-Backbone interact. energy: -0.340
local terms energy: -180.443135
where:
bonds (distance) C4'-P energy: -35.605
bonds (distance) P-C4' energy: -37.299
flat angles C4'-P-C4' energy: -40.925
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -50.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -501.436437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.436437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.436437 (E_RNA)
where:
Base-Base interactions energy: -338.149
where: short stacking energy: -136.493
Base-Backbone interact. energy: -1.495
local terms energy: -161.791938
where:
bonds (distance) C4'-P energy: -30.443
bonds (distance) P-C4' energy: -34.452
flat angles C4'-P-C4' energy: -34.791
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -45.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -509.113718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.113718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.113718 (E_RNA)
where:
Base-Base interactions energy: -360.862
where: short stacking energy: -132.189
Base-Backbone interact. energy: -0.829
local terms energy: -147.423235
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -31.973
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: -38.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -336.832935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.832935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.832935 (E_RNA)
where:
Base-Base interactions energy: -195.505
where: short stacking energy: -85.944
Base-Backbone interact. energy: -0.922
local terms energy: -140.405264
where:
bonds (distance) C4'-P energy: -34.285
bonds (distance) P-C4' energy: -35.800
flat angles C4'-P-C4' energy: -31.569
flat angles P-C4'-P energy: -18.513
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -288.476625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.476625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.476625 (E_RNA)
where:
Base-Base interactions energy: -145.453
where: short stacking energy: -86.373
Base-Backbone interact. energy: -0.393
local terms energy: -142.630739
where:
bonds (distance) C4'-P energy: -34.146
bonds (distance) P-C4' energy: -30.546
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -26.423
tors. eta vs tors. theta energy: -21.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -221.697669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.697669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.697669 (E_RNA)
where:
Base-Base interactions energy: -94.782
where: short stacking energy: -71.252
Base-Backbone interact. energy: -0.319
local terms energy: -126.596441
where:
bonds (distance) C4'-P energy: -36.001
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -27.050
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -183.586468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.586468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.586468 (E_RNA)
where:
Base-Base interactions energy: -83.877
where: short stacking energy: -44.640
Base-Backbone interact. energy: 1.299
local terms energy: -101.007908
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -36.886
flat angles C4'-P-C4' energy: -26.828
flat angles P-C4'-P energy: -12.079
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: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -149.425800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.425800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.425800 (E_RNA)
where:
Base-Base interactions energy: -42.226
where: short stacking energy: -35.708
Base-Backbone interact. energy: -0.610
local terms energy: -106.589401
where:
bonds (distance) C4'-P energy: -32.841
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -18.557
tors. eta vs tors. theta energy: 0.955
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: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -146.557407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.557407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.557407 (E_RNA)
where:
Base-Base interactions energy: -59.076
where: short stacking energy: -41.394
Base-Backbone interact. energy: 2.232
local terms energy: -89.712677
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -27.781
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -1.268
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: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -531.799128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.799128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.799128 (E_RNA)
where:
Base-Base interactions energy: -348.895
where: short stacking energy: -136.164
Base-Backbone interact. energy: -0.994
local terms energy: -181.910739
where:
bonds (distance) C4'-P energy: -38.595
bonds (distance) P-C4' energy: -35.790
flat angles C4'-P-C4' energy: -38.221
flat angles P-C4'-P energy: -31.395
tors. eta vs tors. theta energy: -37.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -556.703695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.703695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.703695 (E_RNA)
where:
Base-Base interactions energy: -367.219
where: short stacking energy: -152.468
Base-Backbone interact. energy: -0.855
local terms energy: -188.629683
where:
bonds (distance) C4'-P energy: -36.575
bonds (distance) P-C4' energy: -37.282
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -29.809
tors. eta vs tors. theta energy: -51.736
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: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -520.443053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.443053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.443053 (E_RNA)
where:
Base-Base interactions energy: -360.493
where: short stacking energy: -128.752
Base-Backbone interact. energy: -0.638
local terms energy: -159.311995
where:
bonds (distance) C4'-P energy: -32.694
bonds (distance) P-C4' energy: -27.531
flat angles C4'-P-C4' energy: -36.056
flat angles P-C4'-P energy: -22.963
tors. eta vs tors. theta energy: -40.068
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: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -525.455240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.455240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.455240 (E_RNA)
where:
Base-Base interactions energy: -372.611
where: short stacking energy: -134.333
Base-Backbone interact. energy: -1.574
local terms energy: -151.270160
where:
bonds (distance) C4'-P energy: -26.102
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -33.786
flat angles P-C4'-P energy: -26.330
tors. eta vs tors. theta energy: -38.826
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: 5, replica: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -368.957159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.957159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.957159 (E_RNA)
where:
Base-Base interactions energy: -216.787
where: short stacking energy: -113.458
Base-Backbone interact. energy: -0.917
local terms energy: -151.252786
where:
bonds (distance) C4'-P energy: -37.936
bonds (distance) P-C4' energy: -30.402
flat angles C4'-P-C4' energy: -36.341
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -25.205
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: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -283.279074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.279074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.279074 (E_RNA)
where:
Base-Base interactions energy: -144.242
where: short stacking energy: -73.608
Base-Backbone interact. energy: -0.984
local terms energy: -138.052631
where:
bonds (distance) C4'-P energy: -36.773
bonds (distance) P-C4' energy: -34.986
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: -13.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -246.973615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.973615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.973615 (E_RNA)
where:
Base-Base interactions energy: -134.300
where: short stacking energy: -65.386
Base-Backbone interact. energy: -2.193
local terms energy: -110.481183
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -32.334
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -189.691979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.691979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.691979 (E_RNA)
where:
Base-Base interactions energy: -77.064
where: short stacking energy: -52.863
Base-Backbone interact. energy: 2.368
local terms energy: -114.995875
where:
bonds (distance) C4'-P energy: -29.051
bonds (distance) P-C4' energy: -33.499
flat angles C4'-P-C4' energy: -32.735
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -159.949788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.949788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.949788 (E_RNA)
where:
Base-Base interactions energy: -57.300
where: short stacking energy: -42.587
Base-Backbone interact. energy: 1.497
local terms energy: -104.146572
where:
bonds (distance) C4'-P energy: -27.100
bonds (distance) P-C4' energy: -35.827
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -150.391031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.391031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.391031 (E_RNA)
where:
Base-Base interactions energy: -36.067
where: short stacking energy: -38.173
Base-Backbone interact. energy: -0.501
local terms energy: -113.823110
where:
bonds (distance) C4'-P energy: -31.088
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -555.280978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.280978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.280978 (E_RNA)
where:
Base-Base interactions energy: -380.096
where: short stacking energy: -176.304
Base-Backbone interact. energy: -0.034
local terms energy: -175.150176
where:
bonds (distance) C4'-P energy: -31.087
bonds (distance) P-C4' energy: -33.017
flat angles C4'-P-C4' energy: -32.342
flat angles P-C4'-P energy: -25.499
tors. eta vs tors. theta energy: -53.205
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: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -537.878583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.878583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.878583 (E_RNA)
where:
Base-Base interactions energy: -354.155
where: short stacking energy: -158.071
Base-Backbone interact. energy: 0.036
local terms energy: -183.760073
where:
bonds (distance) C4'-P energy: -28.157
bonds (distance) P-C4' energy: -40.556
flat angles C4'-P-C4' energy: -41.982
flat angles P-C4'-P energy: -25.411
tors. eta vs tors. theta energy: -47.653
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: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -510.085149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.085149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.085149 (E_RNA)
where:
Base-Base interactions energy: -358.678
where: short stacking energy: -138.740
Base-Backbone interact. energy: 3.623
local terms energy: -155.030003
where:
bonds (distance) C4'-P energy: -31.825
bonds (distance) P-C4' energy: -38.282
flat angles C4'-P-C4' energy: -29.044
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -35.474
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: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -504.232995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.232995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.232995 (E_RNA)
where:
Base-Base interactions energy: -339.226
where: short stacking energy: -130.355
Base-Backbone interact. energy: -0.701
local terms energy: -164.305252
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -33.794
flat angles C4'-P-C4' energy: -35.585
flat angles P-C4'-P energy: -27.155
tors. eta vs tors. theta energy: -35.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -347.093713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.093713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.093713 (E_RNA)
where:
Base-Base interactions energy: -202.664
where: short stacking energy: -92.218
Base-Backbone interact. energy: -0.523
local terms energy: -143.906856
where:
bonds (distance) C4'-P energy: -28.804
bonds (distance) P-C4' energy: -29.765
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -27.956
tors. eta vs tors. theta energy: -24.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -275.221591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.221591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.221591 (E_RNA)
where:
Base-Base interactions energy: -146.421
where: short stacking energy: -72.572
Base-Backbone interact. energy: -1.320
local terms energy: -127.480224
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -256.083609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.083609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.083609 (E_RNA)
where:
Base-Base interactions energy: -113.176
where: short stacking energy: -55.387
Base-Backbone interact. energy: -0.421
local terms energy: -142.486411
where:
bonds (distance) C4'-P energy: -37.024
bonds (distance) P-C4' energy: -38.494
flat angles C4'-P-C4' energy: -32.212
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -182.734285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.734285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.734285 (E_RNA)
where:
Base-Base interactions energy: -81.488
where: short stacking energy: -47.619
Base-Backbone interact. energy: -1.012
local terms energy: -100.234166
where:
bonds (distance) C4'-P energy: -28.899
bonds (distance) P-C4' energy: -28.011
flat angles C4'-P-C4' energy: -27.284
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -157.654866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.654866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.654866 (E_RNA)
where:
Base-Base interactions energy: -55.378
where: short stacking energy: -49.634
Base-Backbone interact. energy: -1.914
local terms energy: -100.363094
where:
bonds (distance) C4'-P energy: -27.904
bonds (distance) P-C4' energy: -26.572
flat angles C4'-P-C4' energy: -37.905
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: 3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -155.103748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.103748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.103748 (E_RNA)
where:
Base-Base interactions energy: -52.513
where: short stacking energy: -41.820
Base-Backbone interact. energy: -0.322
local terms energy: -102.268694
where:
bonds (distance) C4'-P energy: -25.919
bonds (distance) P-C4' energy: -34.069
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -555.733097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.733097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.733097 (E_RNA)
where:
Base-Base interactions energy: -366.136
where: short stacking energy: -174.956
Base-Backbone interact. energy: -0.634
local terms energy: -188.963251
where:
bonds (distance) C4'-P energy: -37.729
bonds (distance) P-C4' energy: -36.158
flat angles C4'-P-C4' energy: -38.316
flat angles P-C4'-P energy: -18.696
tors. eta vs tors. theta energy: -58.063
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: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -542.622084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.622084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.622084 (E_RNA)
where:
Base-Base interactions energy: -365.704
where: short stacking energy: -158.795
Base-Backbone interact. energy: -0.356
local terms energy: -176.561683
where:
bonds (distance) C4'-P energy: -36.322
bonds (distance) P-C4' energy: -32.812
flat angles C4'-P-C4' energy: -28.424
flat angles P-C4'-P energy: -28.035
tors. eta vs tors. theta energy: -50.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -514.055219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.055219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.055219 (E_RNA)
where:
Base-Base interactions energy: -347.346
where: short stacking energy: -137.134
Base-Backbone interact. energy: -1.490
local terms energy: -165.218703
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -35.655
flat angles C4'-P-C4' energy: -34.654
flat angles P-C4'-P energy: -24.243
tors. eta vs tors. theta energy: -36.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -511.783538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.783538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.783538 (E_RNA)
where:
Base-Base interactions energy: -353.095
where: short stacking energy: -140.343
Base-Backbone interact. energy: -0.880
local terms energy: -157.809018
where:
bonds (distance) C4'-P energy: -31.266
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -33.610
flat angles P-C4'-P energy: -24.302
tors. eta vs tors. theta energy: -41.479
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: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -337.938949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.938949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.938949 (E_RNA)
where:
Base-Base interactions energy: -209.995
where: short stacking energy: -108.019
Base-Backbone interact. energy: 0.462
local terms energy: -128.405741
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -33.057
flat angles C4'-P-C4' energy: -24.665
flat angles P-C4'-P energy: -21.130
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: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -279.229726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.229726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.229726 (E_RNA)
where:
Base-Base interactions energy: -160.643
where: short stacking energy: -78.017
Base-Backbone interact. energy: -0.870
local terms energy: -117.716653
where:
bonds (distance) C4'-P energy: -30.736
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -33.350
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -8.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -246.597548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.597548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.597548 (E_RNA)
where:
Base-Base interactions energy: -134.472
where: short stacking energy: -59.466
Base-Backbone interact. energy: -1.194
local terms energy: -110.931681
where:
bonds (distance) C4'-P energy: -33.825
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -167.861435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.861435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.861435 (E_RNA)
where:
Base-Base interactions energy: -60.286
where: short stacking energy: -47.143
Base-Backbone interact. energy: -0.714
local terms energy: -106.861384
where:
bonds (distance) C4'-P energy: -28.150
bonds (distance) P-C4' energy: -34.250
flat angles C4'-P-C4' energy: -29.106
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -169.345362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.345362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.345362 (E_RNA)
where:
Base-Base interactions energy: -69.507
where: short stacking energy: -45.222
Base-Backbone interact. energy: 2.857
local terms energy: -102.694921
where:
bonds (distance) C4'-P energy: -30.257
bonds (distance) P-C4' energy: -29.216
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -21.116
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: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -174.351501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.351501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.351501 (E_RNA)
where:
Base-Base interactions energy: -65.338
where: short stacking energy: -57.633
Base-Backbone interact. energy: -0.302
local terms energy: -108.712293
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -32.940
flat angles C4'-P-C4' energy: -29.392
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -552.069263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.069263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.069263 (E_RNA)
where:
Base-Base interactions energy: -356.556
where: short stacking energy: -161.748
Base-Backbone interact. energy: -0.127
local terms energy: -195.386019
where:
bonds (distance) C4'-P energy: -34.876
bonds (distance) P-C4' energy: -39.328
flat angles C4'-P-C4' energy: -37.252
flat angles P-C4'-P energy: -30.672
tors. eta vs tors. theta energy: -53.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -551.129007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.129007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.129007 (E_RNA)
where:
Base-Base interactions energy: -371.027
where: short stacking energy: -162.480
Base-Backbone interact. energy: -0.533
local terms energy: -179.568972
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -33.481
flat angles C4'-P-C4' energy: -40.239
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -52.035
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: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -522.556330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.556330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.556330 (E_RNA)
where:
Base-Base interactions energy: -347.101
where: short stacking energy: -160.586
Base-Backbone interact. energy: 0.250
local terms energy: -175.704587
where:
bonds (distance) C4'-P energy: -29.296
bonds (distance) P-C4' energy: -40.254
flat angles C4'-P-C4' energy: -36.250
flat angles P-C4'-P energy: -21.174
tors. eta vs tors. theta energy: -48.730
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: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -510.110126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.110126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.110126 (E_RNA)
where:
Base-Base interactions energy: -345.459
where: short stacking energy: -138.382
Base-Backbone interact. energy: -0.456
local terms energy: -164.194973
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -35.722
flat angles C4'-P-C4' energy: -34.771
flat angles P-C4'-P energy: -21.498
tors. eta vs tors. theta energy: -43.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -339.795168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.795168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.795168 (E_RNA)
where:
Base-Base interactions energy: -207.651
where: short stacking energy: -96.664
Base-Backbone interact. energy: -0.277
local terms energy: -131.867652
where:
bonds (distance) C4'-P energy: -38.264
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -26.134
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: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -288.766404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.766404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.766404 (E_RNA)
where:
Base-Base interactions energy: -157.635
where: short stacking energy: -92.168
Base-Backbone interact. energy: -0.423
local terms energy: -130.708647
where:
bonds (distance) C4'-P energy: -27.966
bonds (distance) P-C4' energy: -37.099
flat angles C4'-P-C4' energy: -31.770
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -238.570018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.570018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.570018 (E_RNA)
where:
Base-Base interactions energy: -131.775
where: short stacking energy: -49.278
Base-Backbone interact. energy: 0.614
local terms energy: -107.408538
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -37.440
flat angles C4'-P-C4' energy: -32.589
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: 1.454
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: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -176.619812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.619812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.619812 (E_RNA)
where:
Base-Base interactions energy: -50.187
where: short stacking energy: -35.958
Base-Backbone interact. energy: -1.785
local terms energy: -124.647967
where:
bonds (distance) C4'-P energy: -38.241
bonds (distance) P-C4' energy: -36.200
flat angles C4'-P-C4' energy: -32.403
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: 1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -168.556627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.556627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.556627 (E_RNA)
where:
Base-Base interactions energy: -49.753
where: short stacking energy: -40.075
Base-Backbone interact. energy: 0.685
local terms energy: -119.488119
where:
bonds (distance) C4'-P energy: -34.410
bonds (distance) P-C4' energy: -34.844
flat angles C4'-P-C4' energy: -30.307
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -161.870318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.870318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.870318 (E_RNA)
where:
Base-Base interactions energy: -69.503
where: short stacking energy: -49.837
Base-Backbone interact. energy: -0.580
local terms energy: -91.787213
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -31.799
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -20.268
tors. eta vs tors. theta energy: 4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -550.159705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.159705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.159705 (E_RNA)
where:
Base-Base interactions energy: -373.739
where: short stacking energy: -162.447
Base-Backbone interact. energy: -0.208
local terms energy: -176.212674
where:
bonds (distance) C4'-P energy: -37.639
bonds (distance) P-C4' energy: -39.738
flat angles C4'-P-C4' energy: -33.655
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -51.228
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: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -517.300108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.300108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.300108 (E_RNA)
where:
Base-Base interactions energy: -335.916
where: short stacking energy: -158.023
Base-Backbone interact. energy: 0.894
local terms energy: -182.277564
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -43.309
flat angles C4'-P-C4' energy: -35.750
flat angles P-C4'-P energy: -25.638
tors. eta vs tors. theta energy: -51.260
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: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -518.185956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.185956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.185956 (E_RNA)
where:
Base-Base interactions energy: -347.385
where: short stacking energy: -141.499
Base-Backbone interact. energy: -1.308
local terms energy: -169.493241
where:
bonds (distance) C4'-P energy: -34.570
bonds (distance) P-C4' energy: -33.675
flat angles C4'-P-C4' energy: -37.291
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -39.521
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: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -500.736596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.736596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.736596 (E_RNA)
where:
Base-Base interactions energy: -346.598
where: short stacking energy: -126.947
Base-Backbone interact. energy: 0.196
local terms energy: -154.334403
where:
bonds (distance) C4'-P energy: -33.683
bonds (distance) P-C4' energy: -34.717
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -22.407
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: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -325.004070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.004070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.004070 (E_RNA)
where:
Base-Base interactions energy: -191.765
where: short stacking energy: -70.409
Base-Backbone interact. energy: -0.685
local terms energy: -132.554300
where:
bonds (distance) C4'-P energy: -29.710
bonds (distance) P-C4' energy: -34.695
flat angles C4'-P-C4' energy: -36.318
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -316.266125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.266125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.266125 (E_RNA)
where:
Base-Base interactions energy: -201.266
where: short stacking energy: -89.348
Base-Backbone interact. energy: -0.368
local terms energy: -114.632414
where:
bonds (distance) C4'-P energy: -31.881
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -31.177
flat angles P-C4'-P energy: -20.058
tors. eta vs tors. theta energy: -9.637
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: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -212.830445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.830445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.830445 (E_RNA)
where:
Base-Base interactions energy: -103.034
where: short stacking energy: -49.136
Base-Backbone interact. energy: -1.783
local terms energy: -108.013326
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -32.739
flat angles C4'-P-C4' energy: -32.464
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: 1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -165.530260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.530260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.530260 (E_RNA)
where:
Base-Base interactions energy: -48.642
where: short stacking energy: -31.943
Base-Backbone interact. energy: -0.693
local terms energy: -116.195441
where:
bonds (distance) C4'-P energy: -30.286
bonds (distance) P-C4' energy: -34.974
flat angles C4'-P-C4' energy: -30.650
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: 0.302
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: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -170.263220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.263220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.263220 (E_RNA)
where:
Base-Base interactions energy: -58.367
where: short stacking energy: -38.568
Base-Backbone interact. energy: -0.943
local terms energy: -110.952843
where:
bonds (distance) C4'-P energy: -32.179
bonds (distance) P-C4' energy: -37.879
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: 7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -149.112018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.112018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.112018 (E_RNA)
where:
Base-Base interactions energy: -47.520
where: short stacking energy: -33.439
Base-Backbone interact. energy: -0.223
local terms energy: -101.369322
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -31.068
flat angles C4'-P-C4' energy: -29.032
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: 1.135
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: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -557.312803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.312803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.312803 (E_RNA)
where:
Base-Base interactions energy: -370.557
where: short stacking energy: -161.381
Base-Backbone interact. energy: 0.228
local terms energy: -186.983487
where:
bonds (distance) C4'-P energy: -34.099
bonds (distance) P-C4' energy: -40.220
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -22.625
tors. eta vs tors. theta energy: -50.313
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: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -525.772220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.772220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.772220 (E_RNA)
where:
Base-Base interactions energy: -341.449
where: short stacking energy: -164.393
Base-Backbone interact. energy: -0.117
local terms energy: -184.206326
where:
bonds (distance) C4'-P energy: -33.019
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -40.716
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: -52.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -528.352911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.352911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.352911 (E_RNA)
where:
Base-Base interactions energy: -372.869
where: short stacking energy: -125.218
Base-Backbone interact. energy: 0.735
local terms energy: -156.218634
where:
bonds (distance) C4'-P energy: -35.938
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -41.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -483.706620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.706620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.706620 (E_RNA)
where:
Base-Base interactions energy: -315.576
where: short stacking energy: -134.678
Base-Backbone interact. energy: -0.714
local terms energy: -167.417376
where:
bonds (distance) C4'-P energy: -33.167
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -30.283
tors. eta vs tors. theta energy: -45.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -330.490743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.490743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.490743 (E_RNA)
where:
Base-Base interactions energy: -180.764
where: short stacking energy: -91.326
Base-Backbone interact. energy: -0.229
local terms energy: -149.497462
where:
bonds (distance) C4'-P energy: -39.556
bonds (distance) P-C4' energy: -33.947
flat angles C4'-P-C4' energy: -36.780
flat angles P-C4'-P energy: -20.666
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -311.147152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.147152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.147152 (E_RNA)
where:
Base-Base interactions energy: -173.007
where: short stacking energy: -89.235
Base-Backbone interact. energy: -1.028
local terms energy: -137.112969
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -36.951
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -13.708
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: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -214.546239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.546239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.546239 (E_RNA)
where:
Base-Base interactions energy: -107.207
where: short stacking energy: -39.528
Base-Backbone interact. energy: 0.215
local terms energy: -107.554401
where:
bonds (distance) C4'-P energy: -34.076
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -30.640
flat angles P-C4'-P energy: -21.423
tors. eta vs tors. theta energy: 3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -264.706170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.706170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.706170 (E_RNA)
where:
Base-Base interactions energy: -147.316
where: short stacking energy: -72.344
Base-Backbone interact. energy: 1.446
local terms energy: -118.836169
where:
bonds (distance) C4'-P energy: -34.595
bonds (distance) P-C4' energy: -27.106
flat angles C4'-P-C4' energy: -24.491
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -15.214
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: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -191.015504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.015504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.015504 (E_RNA)
where:
Base-Base interactions energy: -73.920
where: short stacking energy: -55.871
Base-Backbone interact. energy: -1.018
local terms energy: -116.077434
where:
bonds (distance) C4'-P energy: -27.169
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -28.375
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -147.058870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.058870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.058870 (E_RNA)
where:
Base-Base interactions energy: -55.809
where: short stacking energy: -38.306
Base-Backbone interact. energy: -0.880
local terms energy: -90.369864
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -26.831
flat angles C4'-P-C4' energy: -29.962
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: 2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -559.027959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.027959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.027959 (E_RNA)
where:
Base-Base interactions energy: -385.417
where: short stacking energy: -164.290
Base-Backbone interact. energy: -0.120
local terms energy: -173.490424
where:
bonds (distance) C4'-P energy: -32.469
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -36.593
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -51.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -539.273115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.273115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.273115 (E_RNA)
where:
Base-Base interactions energy: -361.661
where: short stacking energy: -176.886
Base-Backbone interact. energy: 0.215
local terms energy: -177.827929
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -36.973
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: -51.834
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: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -505.538659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.538659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.538659 (E_RNA)
where:
Base-Base interactions energy: -339.419
where: short stacking energy: -145.315
Base-Backbone interact. energy: -0.120
local terms energy: -165.999051
where:
bonds (distance) C4'-P energy: -25.908
bonds (distance) P-C4' energy: -35.848
flat angles C4'-P-C4' energy: -34.892
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: -41.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -518.309466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.309466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.309466 (E_RNA)
where:
Base-Base interactions energy: -356.867
where: short stacking energy: -126.868
Base-Backbone interact. energy: -1.384
local terms energy: -160.058304
where:
bonds (distance) C4'-P energy: -32.595
bonds (distance) P-C4' energy: -34.614
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -20.886
tors. eta vs tors. theta energy: -39.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -323.900566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.900566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.900566 (E_RNA)
where:
Base-Base interactions energy: -195.876
where: short stacking energy: -82.778
Base-Backbone interact. energy: -0.691
local terms energy: -127.333081
where:
bonds (distance) C4'-P energy: -33.059
bonds (distance) P-C4' energy: -31.826
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -10.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -286.930654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.930654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.930654 (E_RNA)
where:
Base-Base interactions energy: -157.691
where: short stacking energy: -75.164
Base-Backbone interact. energy: -0.806
local terms energy: -128.433409
where:
bonds (distance) C4'-P energy: -35.406
bonds (distance) P-C4' energy: -31.612
flat angles C4'-P-C4' energy: -32.378
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -296.822126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.822126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.822126 (E_RNA)
where:
Base-Base interactions energy: -157.621
where: short stacking energy: -72.982
Base-Backbone interact. energy: -0.621
local terms energy: -138.580268
where:
bonds (distance) C4'-P energy: -32.800
bonds (distance) P-C4' energy: -39.459
flat angles C4'-P-C4' energy: -31.962
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -221.075029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.075029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.075029 (E_RNA)
where:
Base-Base interactions energy: -111.112
where: short stacking energy: -47.162
Base-Backbone interact. energy: -0.184
local terms energy: -109.779261
where:
bonds (distance) C4'-P energy: -30.094
bonds (distance) P-C4' energy: -30.706
flat angles C4'-P-C4' energy: -30.406
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -171.217857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.217857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.217857 (E_RNA)
where:
Base-Base interactions energy: -60.483
where: short stacking energy: -56.057
Base-Backbone interact. energy: -0.005
local terms energy: -110.730061
where:
bonds (distance) C4'-P energy: -29.822
bonds (distance) P-C4' energy: -28.612
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -159.493024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.493024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.493024 (E_RNA)
where:
Base-Base interactions energy: -49.571
where: short stacking energy: -44.985
Base-Backbone interact. energy: 0.320
local terms energy: -110.242068
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -576.219692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.219692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.219692 (E_RNA)
where:
Base-Base interactions energy: -380.851
where: short stacking energy: -164.370
Base-Backbone interact. energy: -0.419
local terms energy: -194.948999
where:
bonds (distance) C4'-P energy: -33.932
bonds (distance) P-C4' energy: -38.563
flat angles C4'-P-C4' energy: -43.942
flat angles P-C4'-P energy: -26.668
tors. eta vs tors. theta energy: -51.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -541.739706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.739706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.739706 (E_RNA)
where:
Base-Base interactions energy: -353.246
where: short stacking energy: -160.160
Base-Backbone interact. energy: -0.412
local terms energy: -188.081667
where:
bonds (distance) C4'-P energy: -35.248
bonds (distance) P-C4' energy: -35.910
flat angles C4'-P-C4' energy: -35.598
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: -53.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -527.234011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.234011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.234011 (E_RNA)
where:
Base-Base interactions energy: -344.666
where: short stacking energy: -147.215
Base-Backbone interact. energy: -0.375
local terms energy: -182.193163
where:
bonds (distance) C4'-P energy: -35.547
bonds (distance) P-C4' energy: -33.263
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -48.535
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: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -494.482179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.482179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.482179 (E_RNA)
where:
Base-Base interactions energy: -339.244
where: short stacking energy: -128.902
Base-Backbone interact. energy: -1.020
local terms energy: -154.218162
where:
bonds (distance) C4'-P energy: -25.779
bonds (distance) P-C4' energy: -35.252
flat angles C4'-P-C4' energy: -33.755
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -40.489
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: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -343.777985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.777985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.777985 (E_RNA)
where:
Base-Base interactions energy: -207.340
where: short stacking energy: -99.114
Base-Backbone interact. energy: 0.762
local terms energy: -137.200149
where:
bonds (distance) C4'-P energy: -29.811
bonds (distance) P-C4' energy: -37.389
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -25.164
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: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -315.476654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.476654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.476654 (E_RNA)
where:
Base-Base interactions energy: -184.911
where: short stacking energy: -74.939
Base-Backbone interact. energy: -1.518
local terms energy: -129.047857
where:
bonds (distance) C4'-P energy: -32.240
bonds (distance) P-C4' energy: -37.607
flat angles C4'-P-C4' energy: -34.087
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -10.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -263.561657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.561657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.561657 (E_RNA)
where:
Base-Base interactions energy: -124.061
where: short stacking energy: -72.395
Base-Backbone interact. energy: 1.044
local terms energy: -140.544149
where:
bonds (distance) C4'-P energy: -30.961
bonds (distance) P-C4' energy: -37.703
flat angles C4'-P-C4' energy: -37.820
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -11.567
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: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -197.945631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.945631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.945631 (E_RNA)
where:
Base-Base interactions energy: -91.133
where: short stacking energy: -54.958
Base-Backbone interact. energy: -0.133
local terms energy: -106.679098
where:
bonds (distance) C4'-P energy: -27.754
bonds (distance) P-C4' energy: -37.380
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -176.377043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.377043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.377043 (E_RNA)
where:
Base-Base interactions energy: -73.224
where: short stacking energy: -40.175
Base-Backbone interact. energy: -0.543
local terms energy: -102.609705
where:
bonds (distance) C4'-P energy: -28.223
bonds (distance) P-C4' energy: -39.022
flat angles C4'-P-C4' energy: -24.142
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -144.628747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.628747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.628747 (E_RNA)
where:
Base-Base interactions energy: -29.056
where: short stacking energy: -27.095
Base-Backbone interact. energy: -0.352
local terms energy: -115.221079
where:
bonds (distance) C4'-P energy: -32.531
bonds (distance) P-C4' energy: -36.255
flat angles C4'-P-C4' energy: -27.725
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: 3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -575.001764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.001764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.001764 (E_RNA)
where:
Base-Base interactions energy: -383.460
where: short stacking energy: -160.254
Base-Backbone interact. energy: -0.755
local terms energy: -190.786480
where:
bonds (distance) C4'-P energy: -36.842
bonds (distance) P-C4' energy: -34.514
flat angles C4'-P-C4' energy: -38.613
flat angles P-C4'-P energy: -23.008
tors. eta vs tors. theta energy: -57.809
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: 2, replica: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -530.967816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.967816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.967816 (E_RNA)
where:
Base-Base interactions energy: -346.585
where: short stacking energy: -164.710
Base-Backbone interact. energy: -0.042
local terms energy: -184.340275
where:
bonds (distance) C4'-P energy: -36.605
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -40.305
flat angles P-C4'-P energy: -29.297
tors. eta vs tors. theta energy: -50.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -509.208761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.208761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.208761 (E_RNA)
where:
Base-Base interactions energy: -343.356
where: short stacking energy: -134.004
Base-Backbone interact. energy: -2.129
local terms energy: -163.723766
where:
bonds (distance) C4'-P energy: -29.964
bonds (distance) P-C4' energy: -31.779
flat angles C4'-P-C4' energy: -37.592
flat angles P-C4'-P energy: -24.308
tors. eta vs tors. theta energy: -40.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -517.255131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.255131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.255131 (E_RNA)
where:
Base-Base interactions energy: -361.392
where: short stacking energy: -137.140
Base-Backbone interact. energy: -1.936
local terms energy: -153.927706
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -32.483
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -37.364
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: 5, replica: 3
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -320.871173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.871173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.871173 (E_RNA)
where:
Base-Base interactions energy: -195.647
where: short stacking energy: -96.503
Base-Backbone interact. energy: -0.224
local terms energy: -124.999920
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -33.171
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -322.995662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.995662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.995662 (E_RNA)
where:
Base-Base interactions energy: -182.265
where: short stacking energy: -91.828
Base-Backbone interact. energy: -0.223
local terms energy: -140.507648
where:
bonds (distance) C4'-P energy: -36.722
bonds (distance) P-C4' energy: -34.583
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -22.885
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: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -186.594297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.594297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.594297 (E_RNA)
where:
Base-Base interactions energy: -68.327
where: short stacking energy: -51.064
Base-Backbone interact. energy: -0.645
local terms energy: -117.621974
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -35.686
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -257.221402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.221402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.221402 (E_RNA)
where:
Base-Base interactions energy: -134.976
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.452
local terms energy: -121.794165
where:
bonds (distance) C4'-P energy: -35.315
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -32.701
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -157.133041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.133041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.133041 (E_RNA)
where:
Base-Base interactions energy: -53.859
where: short stacking energy: -38.020
Base-Backbone interact. energy: 2.545
local terms energy: -105.818617
where:
bonds (distance) C4'-P energy: -35.403
bonds (distance) P-C4' energy: -33.189
flat angles C4'-P-C4' energy: -27.404
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: 3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -149.832192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.832192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.832192 (E_RNA)
where:
Base-Base interactions energy: -46.443
where: short stacking energy: -42.780
Base-Backbone interact. energy: -0.962
local terms energy: -102.426935
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -25.526
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: 4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -568.592965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.592965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.592965 (E_RNA)
where:
Base-Base interactions energy: -390.490
where: short stacking energy: -169.985
Base-Backbone interact. energy: -0.262
local terms energy: -177.840698
where:
bonds (distance) C4'-P energy: -34.479
bonds (distance) P-C4' energy: -30.255
flat angles C4'-P-C4' energy: -38.587
flat angles P-C4'-P energy: -22.612
tors. eta vs tors. theta energy: -51.908
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: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -520.233185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.233185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.233185 (E_RNA)
where:
Base-Base interactions energy: -354.738
where: short stacking energy: -132.901
Base-Backbone interact. energy: -0.568
local terms energy: -164.927487
where:
bonds (distance) C4'-P energy: -34.866
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -34.877
flat angles P-C4'-P energy: -30.716
tors. eta vs tors. theta energy: -34.570
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: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -489.252390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.252390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.252390 (E_RNA)
where:
Base-Base interactions energy: -314.027
where: short stacking energy: -147.474
Base-Backbone interact. energy: -0.274
local terms energy: -174.951279
where:
bonds (distance) C4'-P energy: -36.342
bonds (distance) P-C4' energy: -31.392
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -27.692
tors. eta vs tors. theta energy: -46.098
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: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -486.778900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.778900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.778900 (E_RNA)
where:
Base-Base interactions energy: -336.497
where: short stacking energy: -122.982
Base-Backbone interact. energy: -0.942
local terms energy: -149.339722
where:
bonds (distance) C4'-P energy: -33.718
bonds (distance) P-C4' energy: -32.099
flat angles C4'-P-C4' energy: -33.100
flat angles P-C4'-P energy: -22.315
tors. eta vs tors. theta energy: -28.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -338.766704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.766704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.766704 (E_RNA)
where:
Base-Base interactions energy: -192.178
where: short stacking energy: -101.900
Base-Backbone interact. energy: -0.636
local terms energy: -145.952026
where:
bonds (distance) C4'-P energy: -30.025
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -33.287
flat angles P-C4'-P energy: -22.734
tors. eta vs tors. theta energy: -32.956
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: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -330.466630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.466630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.466630 (E_RNA)
where:
Base-Base interactions energy: -211.064
where: short stacking energy: -96.063
Base-Backbone interact. energy: 0.004
local terms energy: -119.407004
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -28.176
flat angles C4'-P-C4' energy: -29.718
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -195.557003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.557003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.557003 (E_RNA)
where:
Base-Base interactions energy: -91.204
where: short stacking energy: -52.552
Base-Backbone interact. energy: -0.286
local terms energy: -104.067538
where:
bonds (distance) C4'-P energy: -28.871
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -33.830
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -261.579923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.579923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.579923 (E_RNA)
where:
Base-Base interactions energy: -137.959
where: short stacking energy: -76.465
Base-Backbone interact. energy: 0.535
local terms energy: -124.155941
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -26.745
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -170.364139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.364139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.364139 (E_RNA)
where:
Base-Base interactions energy: -54.714
where: short stacking energy: -47.154
Base-Backbone interact. energy: -0.250
local terms energy: -115.399690
where:
bonds (distance) C4'-P energy: -27.432
bonds (distance) P-C4' energy: -33.041
flat angles C4'-P-C4' energy: -29.815
flat angles P-C4'-P energy: -22.266
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -143.274427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.274427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.274427 (E_RNA)
where:
Base-Base interactions energy: -49.931
where: short stacking energy: -29.239
Base-Backbone interact. energy: 0.076
local terms energy: -93.419403
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -37.431
flat angles C4'-P-C4' energy: -27.422
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: 12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -585.433750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.433750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.433750 (E_RNA)
where:
Base-Base interactions energy: -392.547
where: short stacking energy: -163.538
Base-Backbone interact. energy: 1.318
local terms energy: -194.204383
where:
bonds (distance) C4'-P energy: -30.556
bonds (distance) P-C4' energy: -38.300
flat angles C4'-P-C4' energy: -43.447
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: -55.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -518.264736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.264736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.264736 (E_RNA)
where:
Base-Base interactions energy: -359.791
where: short stacking energy: -141.012
Base-Backbone interact. energy: -0.806
local terms energy: -157.667609
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -38.828
flat angles C4'-P-C4' energy: -35.916
flat angles P-C4'-P energy: -20.730
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: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -487.979383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.979383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.979383 (E_RNA)
where:
Base-Base interactions energy: -327.054
where: short stacking energy: -146.425
Base-Backbone interact. energy: -0.183
local terms energy: -160.741580
where:
bonds (distance) C4'-P energy: -26.995
bonds (distance) P-C4' energy: -33.468
flat angles C4'-P-C4' energy: -30.878
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -47.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -511.022512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.022512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.022512 (E_RNA)
where:
Base-Base interactions energy: -348.721
where: short stacking energy: -128.960
Base-Backbone interact. energy: -0.652
local terms energy: -161.649559
where:
bonds (distance) C4'-P energy: -36.445
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -29.515
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -37.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -343.297490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.297490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.297490 (E_RNA)
where:
Base-Base interactions energy: -205.721
where: short stacking energy: -90.923
Base-Backbone interact. energy: -0.704
local terms energy: -136.871783
where:
bonds (distance) C4'-P energy: -31.501
bonds (distance) P-C4' energy: -35.807
flat angles C4'-P-C4' energy: -23.472
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -311.601653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.601653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.601653 (E_RNA)
where:
Base-Base interactions energy: -176.337
where: short stacking energy: -78.412
Base-Backbone interact. energy: 1.925
local terms energy: -137.189250
where:
bonds (distance) C4'-P energy: -29.804
bonds (distance) P-C4' energy: -36.815
flat angles C4'-P-C4' energy: -33.558
flat angles P-C4'-P energy: -21.975
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -223.564705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.564705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.564705 (E_RNA)
where:
Base-Base interactions energy: -117.772
where: short stacking energy: -56.708
Base-Backbone interact. energy: -0.795
local terms energy: -104.997542
where:
bonds (distance) C4'-P energy: -28.946
bonds (distance) P-C4' energy: -29.636
flat angles C4'-P-C4' energy: -25.177
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -233.180197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.180197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.180197 (E_RNA)
where:
Base-Base interactions energy: -111.593
where: short stacking energy: -72.515
Base-Backbone interact. energy: -0.698
local terms energy: -120.888586
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -38.640
flat angles C4'-P-C4' energy: -29.472
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -8.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -157.033389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.033389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.033389 (E_RNA)
where:
Base-Base interactions energy: -48.933
where: short stacking energy: -43.240
Base-Backbone interact. energy: -0.291
local terms energy: -107.808854
where:
bonds (distance) C4'-P energy: -28.633
bonds (distance) P-C4' energy: -34.780
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -21.501
tors. eta vs tors. theta energy: 1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -146.953143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.953143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.953143 (E_RNA)
where:
Base-Base interactions energy: -46.718
where: short stacking energy: -44.328
Base-Backbone interact. energy: 6.501
local terms energy: -106.736100
where:
bonds (distance) C4'-P energy: -26.510
bonds (distance) P-C4' energy: -33.439
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -564.417302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.417302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.417302 (E_RNA)
where:
Base-Base interactions energy: -380.684
where: short stacking energy: -171.042
Base-Backbone interact. energy: -0.588
local terms energy: -183.144946
where:
bonds (distance) C4'-P energy: -34.126
bonds (distance) P-C4' energy: -36.277
flat angles C4'-P-C4' energy: -34.446
flat angles P-C4'-P energy: -24.901
tors. eta vs tors. theta energy: -53.395
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: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -525.161350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.161350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.161350 (E_RNA)
where:
Base-Base interactions energy: -358.648
where: short stacking energy: -143.577
Base-Backbone interact. energy: -1.630
local terms energy: -164.883704
where:
bonds (distance) C4'-P energy: -29.023
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -40.950
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: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -508.623461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.623461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.623461 (E_RNA)
where:
Base-Base interactions energy: -338.857
where: short stacking energy: -148.740
Base-Backbone interact. energy: -0.517
local terms energy: -169.249129
where:
bonds (distance) C4'-P energy: -32.762
bonds (distance) P-C4' energy: -32.139
flat angles C4'-P-C4' energy: -34.851
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -46.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -493.569138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.569138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.569138 (E_RNA)
where:
Base-Base interactions energy: -343.596
where: short stacking energy: -131.484
Base-Backbone interact. energy: -1.587
local terms energy: -148.385556
where:
bonds (distance) C4'-P energy: -29.323
bonds (distance) P-C4' energy: -29.436
flat angles C4'-P-C4' energy: -33.373
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -36.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -368.378035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.378035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.378035 (E_RNA)
where:
Base-Base interactions energy: -202.438
where: short stacking energy: -104.696
Base-Backbone interact. energy: 0.041
local terms energy: -165.981123
where:
bonds (distance) C4'-P energy: -37.892
bonds (distance) P-C4' energy: -35.720
flat angles C4'-P-C4' energy: -32.224
flat angles P-C4'-P energy: -26.460
tors. eta vs tors. theta energy: -33.685
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: 391
Temperature: 1.150000
Total energy: -312.762852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.762852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.762852 (E_RNA)
where:
Base-Base interactions energy: -171.416
where: short stacking energy: -83.457
Base-Backbone interact. energy: 0.130
local terms energy: -141.477169
where:
bonds (distance) C4'-P energy: -33.693
bonds (distance) P-C4' energy: -29.065
flat angles C4'-P-C4' energy: -38.518
flat angles P-C4'-P energy: -22.603
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: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -240.551080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.551080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.551080 (E_RNA)
where:
Base-Base interactions energy: -121.490
where: short stacking energy: -49.285
Base-Backbone interact. energy: -1.324
local terms energy: -117.736470
where:
bonds (distance) C4'-P energy: -34.111
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -31.782
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: 0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -259.934812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.934812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.934812 (E_RNA)
where:
Base-Base interactions energy: -130.614
where: short stacking energy: -61.903
Base-Backbone interact. energy: 1.815
local terms energy: -131.136006
where:
bonds (distance) C4'-P energy: -25.813
bonds (distance) P-C4' energy: -35.149
flat angles C4'-P-C4' energy: -21.878
flat angles P-C4'-P energy: -28.068
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: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -158.571477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.571477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.571477 (E_RNA)
where:
Base-Base interactions energy: -41.581
where: short stacking energy: -36.025
Base-Backbone interact. energy: -0.933
local terms energy: -116.057428
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -31.865
flat angles C4'-P-C4' energy: -27.471
flat angles P-C4'-P energy: -24.115
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -147.083359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.083359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.083359 (E_RNA)
where:
Base-Base interactions energy: -46.141
where: short stacking energy: -39.837
Base-Backbone interact. energy: 0.015
local terms energy: -100.956995
where:
bonds (distance) C4'-P energy: -29.815
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -32.277
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: 0.582
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: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -553.256184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.256184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.256184 (E_RNA)
where:
Base-Base interactions energy: -385.678
where: short stacking energy: -142.073
Base-Backbone interact. energy: -0.837
local terms energy: -166.741103
where:
bonds (distance) C4'-P energy: -35.765
bonds (distance) P-C4' energy: -36.707
flat angles C4'-P-C4' energy: -35.640
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -40.289
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: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -553.602564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.602564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.602564 (E_RNA)
where:
Base-Base interactions energy: -367.977
where: short stacking energy: -157.149
Base-Backbone interact. energy: -0.000
local terms energy: -185.625643
where:
bonds (distance) C4'-P energy: -30.609
bonds (distance) P-C4' energy: -38.498
flat angles C4'-P-C4' energy: -40.488
flat angles P-C4'-P energy: -23.907
tors. eta vs tors. theta energy: -52.123
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: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -504.062678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.062678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.062678 (E_RNA)
where:
Base-Base interactions energy: -348.980
where: short stacking energy: -135.077
Base-Backbone interact. energy: 2.627
local terms energy: -157.709042
where:
bonds (distance) C4'-P energy: -31.446
bonds (distance) P-C4' energy: -25.287
flat angles C4'-P-C4' energy: -36.200
flat angles P-C4'-P energy: -26.395
tors. eta vs tors. theta energy: -38.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -463.386412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.386412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.386412 (E_RNA)
where:
Base-Base interactions energy: -313.248
where: short stacking energy: -138.395
Base-Backbone interact. energy: -1.053
local terms energy: -149.084786
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -34.321
flat angles P-C4'-P energy: -19.498
tors. eta vs tors. theta energy: -47.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -337.896982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.896982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.896982 (E_RNA)
where:
Base-Base interactions energy: -189.144
where: short stacking energy: -99.003
Base-Backbone interact. energy: -0.096
local terms energy: -148.656901
where:
bonds (distance) C4'-P energy: -36.646
bonds (distance) P-C4' energy: -28.155
flat angles C4'-P-C4' energy: -37.817
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -22.164
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: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -302.932955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.932955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.932955 (E_RNA)
where:
Base-Base interactions energy: -171.595
where: short stacking energy: -70.536
Base-Backbone interact. energy: 1.190
local terms energy: -132.527920
where:
bonds (distance) C4'-P energy: -30.960
bonds (distance) P-C4' energy: -27.619
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -24.238
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -285.570909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.570909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.570909 (E_RNA)
where:
Base-Base interactions energy: -141.655
where: short stacking energy: -74.971
Base-Backbone interact. energy: -0.219
local terms energy: -143.696747
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -34.459
flat angles C4'-P-C4' energy: -27.904
flat angles P-C4'-P energy: -26.418
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: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -173.841306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.841306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.841306 (E_RNA)
where:
Base-Base interactions energy: -72.866
where: short stacking energy: -45.236
Base-Backbone interact. energy: -2.051
local terms energy: -98.924566
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -19.457
tors. eta vs tors. theta energy: -3.619
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: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -154.338370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.338370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.338370 (E_RNA)
where:
Base-Base interactions energy: -50.821
where: short stacking energy: -37.222
Base-Backbone interact. energy: -0.105
local terms energy: -103.411855
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -38.177
flat angles C4'-P-C4' energy: -23.131
flat angles P-C4'-P energy: -16.916
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: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -147.699641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.699641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.699641 (E_RNA)
where:
Base-Base interactions energy: -42.977
where: short stacking energy: -40.507
Base-Backbone interact. energy: -0.454
local terms energy: -104.269292
where:
bonds (distance) C4'-P energy: -30.820
bonds (distance) P-C4' energy: -26.372
flat angles C4'-P-C4' energy: -35.460
flat angles P-C4'-P energy: -17.050
tors. eta vs tors. theta energy: 5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -534.162118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.162118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.162118 (E_RNA)
where:
Base-Base interactions energy: -362.691
where: short stacking energy: -149.295
Base-Backbone interact. energy: -1.265
local terms energy: -170.206572
where:
bonds (distance) C4'-P energy: -31.317
bonds (distance) P-C4' energy: -37.722
flat angles C4'-P-C4' energy: -34.501
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -43.135
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: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -557.863277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.863277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.863277 (E_RNA)
where:
Base-Base interactions energy: -375.347
where: short stacking energy: -148.234
Base-Backbone interact. energy: -0.739
local terms energy: -181.777562
where:
bonds (distance) C4'-P energy: -30.791
bonds (distance) P-C4' energy: -36.623
flat angles C4'-P-C4' energy: -34.014
flat angles P-C4'-P energy: -29.619
tors. eta vs tors. theta energy: -50.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -523.109942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.109942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.109942 (E_RNA)
where:
Base-Base interactions energy: -365.681
where: short stacking energy: -138.878
Base-Backbone interact. energy: 0.091
local terms energy: -157.519390
where:
bonds (distance) C4'-P energy: -34.398
bonds (distance) P-C4' energy: -23.590
flat angles C4'-P-C4' energy: -34.287
flat angles P-C4'-P energy: -23.923
tors. eta vs tors. theta energy: -41.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -494.549000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.549000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.549000 (E_RNA)
where:
Base-Base interactions energy: -324.998
where: short stacking energy: -142.629
Base-Backbone interact. energy: 0.227
local terms energy: -169.777809
where:
bonds (distance) C4'-P energy: -35.756
bonds (distance) P-C4' energy: -32.306
flat angles C4'-P-C4' energy: -32.588
flat angles P-C4'-P energy: -25.737
tors. eta vs tors. theta energy: -43.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -355.413314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.413314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.413314 (E_RNA)
where:
Base-Base interactions energy: -201.244
where: short stacking energy: -108.747
Base-Backbone interact. energy: -0.169
local terms energy: -154.000651
where:
bonds (distance) C4'-P energy: -34.981
bonds (distance) P-C4' energy: -37.652
flat angles C4'-P-C4' energy: -29.651
flat angles P-C4'-P energy: -22.848
tors. eta vs tors. theta energy: -28.868
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: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -266.471846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.471846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.471846 (E_RNA)
where:
Base-Base interactions energy: -146.723
where: short stacking energy: -78.964
Base-Backbone interact. energy: -0.505
local terms energy: -119.243656
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -35.423
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -13.431
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: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -286.204973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.204973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.204973 (E_RNA)
where:
Base-Base interactions energy: -158.732
where: short stacking energy: -88.315
Base-Backbone interact. energy: -0.494
local terms energy: -126.978840
where:
bonds (distance) C4'-P energy: -30.225
bonds (distance) P-C4' energy: -29.880
flat angles C4'-P-C4' energy: -27.531
flat angles P-C4'-P energy: -20.097
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: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -256.647421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.647421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.647421 (E_RNA)
where:
Base-Base interactions energy: -137.220
where: short stacking energy: -60.017
Base-Backbone interact. energy: 0.306
local terms energy: -119.733637
where:
bonds (distance) C4'-P energy: -31.454
bonds (distance) P-C4' energy: -32.498
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -165.354620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.354620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.354620 (E_RNA)
where:
Base-Base interactions energy: -47.446
where: short stacking energy: -37.608
Base-Backbone interact. energy: -0.791
local terms energy: -117.117602
where:
bonds (distance) C4'-P energy: -31.860
bonds (distance) P-C4' energy: -34.357
flat angles C4'-P-C4' energy: -26.405
flat angles P-C4'-P energy: -21.118
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: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -141.787736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.787736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.787736 (E_RNA)
where:
Base-Base interactions energy: -65.757
where: short stacking energy: -41.475
Base-Backbone interact. energy: 0.514
local terms energy: -76.544794
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -26.330
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -17.309
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: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -584.314740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.314740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.314740 (E_RNA)
where:
Base-Base interactions energy: -394.439
where: short stacking energy: -175.318
Base-Backbone interact. energy: -0.174
local terms energy: -189.702286
where:
bonds (distance) C4'-P energy: -38.665
bonds (distance) P-C4' energy: -29.624
flat angles C4'-P-C4' energy: -40.157
flat angles P-C4'-P energy: -25.177
tors. eta vs tors. theta energy: -56.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -519.368127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.368127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.368127 (E_RNA)
where:
Base-Base interactions energy: -359.347
where: short stacking energy: -135.782
Base-Backbone interact. energy: 0.068
local terms energy: -160.088395
where:
bonds (distance) C4'-P energy: -26.917
bonds (distance) P-C4' energy: -31.128
flat angles C4'-P-C4' energy: -36.817
flat angles P-C4'-P energy: -25.316
tors. eta vs tors. theta energy: -39.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -500.611787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.611787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.611787 (E_RNA)
where:
Base-Base interactions energy: -342.761
where: short stacking energy: -124.435
Base-Backbone interact. energy: 0.158
local terms energy: -158.008749
where:
bonds (distance) C4'-P energy: -32.344
bonds (distance) P-C4' energy: -33.678
flat angles C4'-P-C4' energy: -33.964
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -35.193
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: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -498.961749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.961749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.961749 (E_RNA)
where:
Base-Base interactions energy: -324.191
where: short stacking energy: -142.222
Base-Backbone interact. energy: -0.515
local terms energy: -174.255097
where:
bonds (distance) C4'-P energy: -29.943
bonds (distance) P-C4' energy: -35.615
flat angles C4'-P-C4' energy: -32.284
flat angles P-C4'-P energy: -25.991
tors. eta vs tors. theta energy: -50.421
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: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -345.299487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.299487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.299487 (E_RNA)
where:
Base-Base interactions energy: -193.016
where: short stacking energy: -91.366
Base-Backbone interact. energy: -1.792
local terms energy: -150.491821
where:
bonds (distance) C4'-P energy: -31.735
bonds (distance) P-C4' energy: -31.914
flat angles C4'-P-C4' energy: -34.865
flat angles P-C4'-P energy: -23.137
tors. eta vs tors. theta energy: -28.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -299.780004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.780004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.780004 (E_RNA)
where:
Base-Base interactions energy: -159.425
where: short stacking energy: -86.870
Base-Backbone interact. energy: -0.262
local terms energy: -140.092999
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -37.447
flat angles C4'-P-C4' energy: -33.138
flat angles P-C4'-P energy: -19.007
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: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -287.778132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.778132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.778132 (E_RNA)
where:
Base-Base interactions energy: -163.290
where: short stacking energy: -75.371
Base-Backbone interact. energy: 0.711
local terms energy: -125.199305
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -37.875
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -249.746394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.746394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.746394 (E_RNA)
where:
Base-Base interactions energy: -134.124
where: short stacking energy: -77.982
Base-Backbone interact. energy: -0.259
local terms energy: -115.363392
where:
bonds (distance) C4'-P energy: -27.219
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -163.903589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.903589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.903589 (E_RNA)
where:
Base-Base interactions energy: -61.878
where: short stacking energy: -54.485
Base-Backbone interact. energy: 0.329
local terms energy: -102.354133
where:
bonds (distance) C4'-P energy: -28.947
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -29.957
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -151.791650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.791650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.791650 (E_RNA)
where:
Base-Base interactions energy: -49.770
where: short stacking energy: -46.443
Base-Backbone interact. energy: 2.535
local terms energy: -104.556077
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -33.234
flat angles C4'-P-C4' energy: -28.767
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -560.312919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.312919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.312919 (E_RNA)
where:
Base-Base interactions energy: -370.390
where: short stacking energy: -162.776
Base-Backbone interact. energy: -1.053
local terms energy: -188.870777
where:
bonds (distance) C4'-P energy: -33.409
bonds (distance) P-C4' energy: -35.704
flat angles C4'-P-C4' energy: -38.051
flat angles P-C4'-P energy: -27.092
tors. eta vs tors. theta energy: -54.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -536.346077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.346077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.346077 (E_RNA)
where:
Base-Base interactions energy: -371.286
where: short stacking energy: -149.197
Base-Backbone interact. energy: -0.690
local terms energy: -164.369659
where:
bonds (distance) C4'-P energy: -25.653
bonds (distance) P-C4' energy: -34.429
flat angles C4'-P-C4' energy: -42.465
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -38.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -528.789890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.789890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.789890 (E_RNA)
where:
Base-Base interactions energy: -363.974
where: short stacking energy: -143.944
Base-Backbone interact. energy: -1.751
local terms energy: -163.064520
where:
bonds (distance) C4'-P energy: -31.863
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -23.299
tors. eta vs tors. theta energy: -43.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -501.896054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.896054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.896054 (E_RNA)
where:
Base-Base interactions energy: -322.739
where: short stacking energy: -136.567
Base-Backbone interact. energy: -0.770
local terms energy: -178.386484
where:
bonds (distance) C4'-P energy: -32.072
bonds (distance) P-C4' energy: -37.067
flat angles C4'-P-C4' energy: -35.570
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -49.840
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: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -367.479158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.479158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.479158 (E_RNA)
where:
Base-Base interactions energy: -217.128
where: short stacking energy: -102.042
Base-Backbone interact. energy: -1.202
local terms energy: -149.148953
where:
bonds (distance) C4'-P energy: -34.141
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -34.232
flat angles P-C4'-P energy: -25.274
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: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -322.479677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.479677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.479677 (E_RNA)
where:
Base-Base interactions energy: -179.533
where: short stacking energy: -92.052
Base-Backbone interact. energy: -1.162
local terms energy: -141.784367
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -36.219
flat angles C4'-P-C4' energy: -29.659
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -28.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -271.485116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.485116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.485116 (E_RNA)
where:
Base-Base interactions energy: -159.457
where: short stacking energy: -53.498
Base-Backbone interact. energy: -0.477
local terms energy: -111.550853
where:
bonds (distance) C4'-P energy: -30.491
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -248.878142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.878142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.878142 (E_RNA)
where:
Base-Base interactions energy: -143.114
where: short stacking energy: -57.860
Base-Backbone interact. energy: 1.251
local terms energy: -107.014875
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -34.769
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -161.757254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.757254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.757254 (E_RNA)
where:
Base-Base interactions energy: -52.918
where: short stacking energy: -48.842
Base-Backbone interact. energy: -1.128
local terms energy: -107.711102
where:
bonds (distance) C4'-P energy: -26.116
bonds (distance) P-C4' energy: -36.415
flat angles C4'-P-C4' energy: -25.227
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: 0.331
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: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -146.259747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.259747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.259747 (E_RNA)
where:
Base-Base interactions energy: -34.797
where: short stacking energy: -34.194
Base-Backbone interact. energy: -0.788
local terms energy: -110.674957
where:
bonds (distance) C4'-P energy: -31.758
bonds (distance) P-C4' energy: -32.083
flat angles C4'-P-C4' energy: -31.591
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -568.286777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.286777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.286777 (E_RNA)
where:
Base-Base interactions energy: -376.699
where: short stacking energy: -159.060
Base-Backbone interact. energy: -0.203
local terms energy: -191.384737
where:
bonds (distance) C4'-P energy: -41.531
bonds (distance) P-C4' energy: -35.318
flat angles C4'-P-C4' energy: -35.083
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -54.785
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: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -540.302801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.302801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.302801 (E_RNA)
where:
Base-Base interactions energy: -366.715
where: short stacking energy: -145.435
Base-Backbone interact. energy: -0.441
local terms energy: -173.146303
where:
bonds (distance) C4'-P energy: -33.788
bonds (distance) P-C4' energy: -40.902
flat angles C4'-P-C4' energy: -37.183
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -42.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -527.454620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.454620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.454620 (E_RNA)
where:
Base-Base interactions energy: -383.554
where: short stacking energy: -135.442
Base-Backbone interact. energy: -0.075
local terms energy: -143.825484
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -33.134
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -40.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -495.038786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.038786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.038786 (E_RNA)
where:
Base-Base interactions energy: -320.667
where: short stacking energy: -151.429
Base-Backbone interact. energy: -0.666
local terms energy: -173.705614
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -37.510
flat angles P-C4'-P energy: -26.910
tors. eta vs tors. theta energy: -49.376
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: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -336.009774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.009774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.009774 (E_RNA)
where:
Base-Base interactions energy: -185.794
where: short stacking energy: -88.461
Base-Backbone interact. energy: 0.684
local terms energy: -150.899313
where:
bonds (distance) C4'-P energy: -30.634
bonds (distance) P-C4' energy: -36.754
flat angles C4'-P-C4' energy: -38.765
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: -23.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -319.496896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.496896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.496896 (E_RNA)
where:
Base-Base interactions energy: -174.387
where: short stacking energy: -90.638
Base-Backbone interact. energy: 0.805
local terms energy: -145.915336
where:
bonds (distance) C4'-P energy: -33.996
bonds (distance) P-C4' energy: -35.054
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -22.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -273.127881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.127881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.127881 (E_RNA)
where:
Base-Base interactions energy: -153.151
where: short stacking energy: -69.238
Base-Backbone interact. energy: 0.643
local terms energy: -120.620437
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -34.034
flat angles C4'-P-C4' energy: -29.999
flat angles P-C4'-P energy: -23.270
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: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -199.058228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.058228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.058228 (E_RNA)
where:
Base-Base interactions energy: -93.502
where: short stacking energy: -48.641
Base-Backbone interact. energy: -0.289
local terms energy: -105.267393
where:
bonds (distance) C4'-P energy: -39.075
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -30.277
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: 3.963
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: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -153.827823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.827823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.827823 (E_RNA)
where:
Base-Base interactions energy: -57.144
where: short stacking energy: -38.166
Base-Backbone interact. energy: 3.020
local terms energy: -99.704619
where:
bonds (distance) C4'-P energy: -29.928
bonds (distance) P-C4' energy: -31.203
flat angles C4'-P-C4' energy: -35.894
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: 13.919
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: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -150.626658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.626658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.626658 (E_RNA)
where:
Base-Base interactions energy: -38.538
where: short stacking energy: -31.078
Base-Backbone interact. energy: 2.383
local terms energy: -114.471467
where:
bonds (distance) C4'-P energy: -39.802
bonds (distance) P-C4' energy: -34.552
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -17.883
tors. eta vs tors. theta energy: 1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -575.380952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.380952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.380952 (E_RNA)
where:
Base-Base interactions energy: -384.248
where: short stacking energy: -159.628
Base-Backbone interact. energy: -0.656
local terms energy: -190.476691
where:
bonds (distance) C4'-P energy: -32.625
bonds (distance) P-C4' energy: -38.751
flat angles C4'-P-C4' energy: -36.921
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -57.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -540.102519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.102519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.102519 (E_RNA)
where:
Base-Base interactions energy: -385.609
where: short stacking energy: -147.698
Base-Backbone interact. energy: -2.071
local terms energy: -152.422920
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -32.599
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -42.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -540.961834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.961834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.961834 (E_RNA)
where:
Base-Base interactions energy: -370.671
where: short stacking energy: -136.137
Base-Backbone interact. energy: 0.117
local terms energy: -170.407372
where:
bonds (distance) C4'-P energy: -40.055
bonds (distance) P-C4' energy: -35.963
flat angles C4'-P-C4' energy: -27.853
flat angles P-C4'-P energy: -25.813
tors. eta vs tors. theta energy: -40.724
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: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -503.573762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.573762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.573762 (E_RNA)
where:
Base-Base interactions energy: -343.338
where: short stacking energy: -148.811
Base-Backbone interact. energy: -0.715
local terms energy: -159.520647
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -39.427
flat angles P-C4'-P energy: -27.568
tors. eta vs tors. theta energy: -45.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -370.663368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.663368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.663368 (E_RNA)
where:
Base-Base interactions energy: -220.317
where: short stacking energy: -98.174
Base-Backbone interact. energy: 0.156
local terms energy: -150.502158
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -33.430
flat angles C4'-P-C4' energy: -32.956
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -26.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -314.740625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.740625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.740625 (E_RNA)
where:
Base-Base interactions energy: -180.908
where: short stacking energy: -104.017
Base-Backbone interact. energy: -0.738
local terms energy: -133.094334
where:
bonds (distance) C4'-P energy: -28.267
bonds (distance) P-C4' energy: -32.793
flat angles C4'-P-C4' energy: -30.373
flat angles P-C4'-P energy: -20.494
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: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -285.983934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.983934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.983934 (E_RNA)
where:
Base-Base interactions energy: -149.519
where: short stacking energy: -83.287
Base-Backbone interact. energy: -0.273
local terms energy: -136.192130
where:
bonds (distance) C4'-P energy: -32.269
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -29.560
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -216.345962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.345962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.345962 (E_RNA)
where:
Base-Base interactions energy: -104.678
where: short stacking energy: -49.404
Base-Backbone interact. energy: 1.198
local terms energy: -112.866734
where:
bonds (distance) C4'-P energy: -36.904
bonds (distance) P-C4' energy: -30.048
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -8.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -157.485312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.485312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.485312 (E_RNA)
where:
Base-Base interactions energy: -47.446
where: short stacking energy: -41.704
Base-Backbone interact. energy: 1.950
local terms energy: -111.988942
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -33.144
flat angles C4'-P-C4' energy: -32.174
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -149.069295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.069295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.069295 (E_RNA)
where:
Base-Base interactions energy: -57.945
where: short stacking energy: -34.310
Base-Backbone interact. energy: -0.709
local terms energy: -90.416110
where:
bonds (distance) C4'-P energy: -23.552
bonds (distance) P-C4' energy: -39.725
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: 3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -573.270075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.270075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.270075 (E_RNA)
where:
Base-Base interactions energy: -382.669
where: short stacking energy: -162.180
Base-Backbone interact. energy: -0.064
local terms energy: -190.536916
where:
bonds (distance) C4'-P energy: -39.067
bonds (distance) P-C4' energy: -34.982
flat angles C4'-P-C4' energy: -39.013
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -50.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -543.611236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.611236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.611236 (E_RNA)
where:
Base-Base interactions energy: -374.092
where: short stacking energy: -137.888
Base-Backbone interact. energy: -1.741
local terms energy: -167.778283
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -36.926
flat angles C4'-P-C4' energy: -37.607
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: -39.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -511.891030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.891030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.891030 (E_RNA)
where:
Base-Base interactions energy: -337.429
where: short stacking energy: -149.343
Base-Backbone interact. energy: -1.223
local terms energy: -173.238549
where:
bonds (distance) C4'-P energy: -30.953
bonds (distance) P-C4' energy: -37.705
flat angles C4'-P-C4' energy: -34.619
flat angles P-C4'-P energy: -22.700
tors. eta vs tors. theta energy: -47.262
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: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -480.339007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.339007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.339007 (E_RNA)
where:
Base-Base interactions energy: -314.683
where: short stacking energy: -135.116
Base-Backbone interact. energy: -0.235
local terms energy: -165.420612
where:
bonds (distance) C4'-P energy: -32.272
bonds (distance) P-C4' energy: -37.057
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -42.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -336.864933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.864933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.864933 (E_RNA)
where:
Base-Base interactions energy: -197.722
where: short stacking energy: -104.752
Base-Backbone interact. energy: -1.108
local terms energy: -138.035178
where:
bonds (distance) C4'-P energy: -25.765
bonds (distance) P-C4' energy: -28.127
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -31.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -306.270074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.270074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.270074 (E_RNA)
where:
Base-Base interactions energy: -178.925
where: short stacking energy: -80.426
Base-Backbone interact. energy: -0.991
local terms energy: -126.353581
where:
bonds (distance) C4'-P energy: -34.707
bonds (distance) P-C4' energy: -32.694
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -258.955767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.955767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.955767 (E_RNA)
where:
Base-Base interactions energy: -131.483
where: short stacking energy: -74.807
Base-Backbone interact. energy: -1.423
local terms energy: -126.050177
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -31.994
flat angles C4'-P-C4' energy: -31.214
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -11.831
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: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -177.956240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.956240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.956240 (E_RNA)
where:
Base-Base interactions energy: -82.052
where: short stacking energy: -57.657
Base-Backbone interact. energy: -0.461
local terms energy: -95.443297
where:
bonds (distance) C4'-P energy: -30.601
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -27.700
flat angles P-C4'-P energy: -19.407
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: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -160.831265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.831265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.831265 (E_RNA)
where:
Base-Base interactions energy: -59.000
where: short stacking energy: -48.591
Base-Backbone interact. energy: 1.486
local terms energy: -103.316870
where:
bonds (distance) C4'-P energy: -24.526
bonds (distance) P-C4' energy: -26.433
flat angles C4'-P-C4' energy: -29.639
flat angles P-C4'-P energy: -20.632
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -150.459074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.459074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.459074 (E_RNA)
where:
Base-Base interactions energy: -50.571
where: short stacking energy: -48.555
Base-Backbone interact. energy: -1.045
local terms energy: -98.842956
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -30.228
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -1.250
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: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -581.528631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.528631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.528631 (E_RNA)
where:
Base-Base interactions energy: -386.859
where: short stacking energy: -180.300
Base-Backbone interact. energy: -0.003
local terms energy: -194.667214
where:
bonds (distance) C4'-P energy: -28.694
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -40.352
flat angles P-C4'-P energy: -26.622
tors. eta vs tors. theta energy: -59.373
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: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -549.078804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.078804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.078804 (E_RNA)
where:
Base-Base interactions energy: -390.289
where: short stacking energy: -147.081
Base-Backbone interact. energy: -1.585
local terms energy: -157.205088
where:
bonds (distance) C4'-P energy: -33.693
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -24.238
tors. eta vs tors. theta energy: -37.956
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: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -528.747166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.747166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.747166 (E_RNA)
where:
Base-Base interactions energy: -368.738
where: short stacking energy: -152.632
Base-Backbone interact. energy: -0.229
local terms energy: -159.779461
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -39.014
flat angles C4'-P-C4' energy: -32.874
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -44.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -465.600461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.600461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.600461 (E_RNA)
where:
Base-Base interactions energy: -302.243
where: short stacking energy: -125.640
Base-Backbone interact. energy: -0.612
local terms energy: -162.745965
where:
bonds (distance) C4'-P energy: -31.202
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -34.223
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -39.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -330.484847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.484847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.484847 (E_RNA)
where:
Base-Base interactions energy: -203.549
where: short stacking energy: -92.412
Base-Backbone interact. energy: -0.222
local terms energy: -126.714096
where:
bonds (distance) C4'-P energy: -32.934
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -30.036
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -326.509027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.509027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.509027 (E_RNA)
where:
Base-Base interactions energy: -208.635
where: short stacking energy: -94.704
Base-Backbone interact. energy: 0.032
local terms energy: -117.905818
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -26.220
flat angles P-C4'-P energy: -18.630
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -257.410310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.410310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.410310 (E_RNA)
where:
Base-Base interactions energy: -127.572
where: short stacking energy: -54.452
Base-Backbone interact. energy: -0.333
local terms energy: -129.505262
where:
bonds (distance) C4'-P energy: -36.003
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -28.990
tors. eta vs tors. theta energy: -1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -170.692698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.692698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.692698 (E_RNA)
where:
Base-Base interactions energy: -85.520
where: short stacking energy: -55.090
Base-Backbone interact. energy: -0.522
local terms energy: -84.650766
where:
bonds (distance) C4'-P energy: -28.612
bonds (distance) P-C4' energy: -27.067
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: 5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -155.636557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.636557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.636557 (E_RNA)
where:
Base-Base interactions energy: -53.837
where: short stacking energy: -44.204
Base-Backbone interact. energy: -0.650
local terms energy: -101.148968
where:
bonds (distance) C4'-P energy: -29.684
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -158.539941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.539941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.539941 (E_RNA)
where:
Base-Base interactions energy: -61.845
where: short stacking energy: -41.004
Base-Backbone interact. energy: -0.743
local terms energy: -95.951830
where:
bonds (distance) C4'-P energy: -30.288
bonds (distance) P-C4' energy: -28.590
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: 1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -573.468057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.468057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.468057 (E_RNA)
where:
Base-Base interactions energy: -375.715
where: short stacking energy: -165.185
Base-Backbone interact. energy: -0.041
local terms energy: -197.711765
where:
bonds (distance) C4'-P energy: -38.455
bonds (distance) P-C4' energy: -39.358
flat angles C4'-P-C4' energy: -39.177
flat angles P-C4'-P energy: -24.462
tors. eta vs tors. theta energy: -56.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -554.846644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.846644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.846644 (E_RNA)
where:
Base-Base interactions energy: -385.951
where: short stacking energy: -147.381
Base-Backbone interact. energy: -0.238
local terms energy: -168.658433
where:
bonds (distance) C4'-P energy: -37.538
bonds (distance) P-C4' energy: -32.871
flat angles C4'-P-C4' energy: -38.658
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -43.511
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: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -521.518949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.518949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.518949 (E_RNA)
where:
Base-Base interactions energy: -346.510
where: short stacking energy: -140.705
Base-Backbone interact. energy: -0.343
local terms energy: -174.666497
where:
bonds (distance) C4'-P energy: -35.077
bonds (distance) P-C4' energy: -37.124
flat angles C4'-P-C4' energy: -35.600
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: -40.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -466.039923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.039923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.039923 (E_RNA)
where:
Base-Base interactions energy: -300.942
where: short stacking energy: -133.853
Base-Backbone interact. energy: -0.749
local terms energy: -164.348895
where:
bonds (distance) C4'-P energy: -29.628
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -35.685
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -45.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -358.281128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.281128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.281128 (E_RNA)
where:
Base-Base interactions energy: -210.364
where: short stacking energy: -93.789
Base-Backbone interact. energy: -0.294
local terms energy: -147.623935
where:
bonds (distance) C4'-P energy: -29.244
bonds (distance) P-C4' energy: -36.205
flat angles C4'-P-C4' energy: -35.554
flat angles P-C4'-P energy: -20.570
tors. eta vs tors. theta energy: -26.051
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: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -261.055161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.055161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.055161 (E_RNA)
where:
Base-Base interactions energy: -133.892
where: short stacking energy: -64.836
Base-Backbone interact. energy: 0.779
local terms energy: -127.942390
where:
bonds (distance) C4'-P energy: -29.749
bonds (distance) P-C4' energy: -41.024
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -22.555
tors. eta vs tors. theta energy: -12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -188.771989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.771989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.771989 (E_RNA)
where:
Base-Base interactions energy: -80.476
where: short stacking energy: -48.824
Base-Backbone interact. energy: -2.759
local terms energy: -105.536459
where:
bonds (distance) C4'-P energy: -31.950
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -178.439312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.439312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.439312 (E_RNA)
where:
Base-Base interactions energy: -79.150
where: short stacking energy: -49.489
Base-Backbone interact. energy: -0.140
local terms energy: -99.148767
where:
bonds (distance) C4'-P energy: -36.735
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -8.355
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: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -172.276150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.276150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.276150 (E_RNA)
where:
Base-Base interactions energy: -64.032
where: short stacking energy: -49.547
Base-Backbone interact. energy: -0.391
local terms energy: -107.852391
where:
bonds (distance) C4'-P energy: -31.147
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: 0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -152.117082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.117082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.117082 (E_RNA)
where:
Base-Base interactions energy: -58.486
where: short stacking energy: -43.939
Base-Backbone interact. energy: 0.261
local terms energy: -93.892465
where:
bonds (distance) C4'-P energy: -29.666
bonds (distance) P-C4' energy: -32.487
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: 5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -570.698483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.698483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.698483 (E_RNA)
where:
Base-Base interactions energy: -386.081
where: short stacking energy: -164.387
Base-Backbone interact. energy: -0.016
local terms energy: -184.601818
where:
bonds (distance) C4'-P energy: -36.211
bonds (distance) P-C4' energy: -37.866
flat angles C4'-P-C4' energy: -33.699
flat angles P-C4'-P energy: -22.014
tors. eta vs tors. theta energy: -54.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -528.627104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.627104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.627104 (E_RNA)
where:
Base-Base interactions energy: -350.703
where: short stacking energy: -148.253
Base-Backbone interact. energy: 0.553
local terms energy: -178.476861
where:
bonds (distance) C4'-P energy: -38.677
bonds (distance) P-C4' energy: -37.625
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -21.944
tors. eta vs tors. theta energy: -44.467
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: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -521.607892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.607892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.607892 (E_RNA)
where:
Base-Base interactions energy: -361.718
where: short stacking energy: -132.880
Base-Backbone interact. energy: -0.598
local terms energy: -159.292585
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -35.698
flat angles P-C4'-P energy: -26.005
tors. eta vs tors. theta energy: -38.107
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: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -380.952038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.952038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.952038 (E_RNA)
where:
Base-Base interactions energy: -233.116
where: short stacking energy: -123.511
Base-Backbone interact. energy: -0.141
local terms energy: -147.695458
where:
bonds (distance) C4'-P energy: -29.363
bonds (distance) P-C4' energy: -30.568
flat angles C4'-P-C4' energy: -26.504
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -40.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -473.253132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.253132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.253132 (E_RNA)
where:
Base-Base interactions energy: -300.878
where: short stacking energy: -137.804
Base-Backbone interact. energy: 0.223
local terms energy: -172.598187
where:
bonds (distance) C4'-P energy: -33.626
bonds (distance) P-C4' energy: -35.628
flat angles C4'-P-C4' energy: -31.880
flat angles P-C4'-P energy: -25.173
tors. eta vs tors. theta energy: -46.291
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: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -312.972527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.972527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.972527 (E_RNA)
where:
Base-Base interactions energy: -179.621
where: short stacking energy: -84.049
Base-Backbone interact. energy: -0.008
local terms energy: -133.343667
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -38.238
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -190.557022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.557022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.557022 (E_RNA)
where:
Base-Base interactions energy: -70.294
where: short stacking energy: -53.873
Base-Backbone interact. energy: -1.284
local terms energy: -118.979086
where:
bonds (distance) C4'-P energy: -28.491
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -20.694
tors. eta vs tors. theta energy: -3.437
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: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -178.783262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.783262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.783262 (E_RNA)
where:
Base-Base interactions energy: -74.338
where: short stacking energy: -58.360
Base-Backbone interact. energy: -0.180
local terms energy: -104.265177
where:
bonds (distance) C4'-P energy: -25.429
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -34.603
flat angles P-C4'-P energy: -24.829
tors. eta vs tors. theta energy: 1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -156.132127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.132127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.132127 (E_RNA)
where:
Base-Base interactions energy: -56.858
where: short stacking energy: -38.978
Base-Backbone interact. energy: 2.635
local terms energy: -101.909168
where:
bonds (distance) C4'-P energy: -30.091
bonds (distance) P-C4' energy: -28.665
flat angles C4'-P-C4' energy: -24.232
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: 1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -149.486778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.486778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.486778 (E_RNA)
where:
Base-Base interactions energy: -38.522
where: short stacking energy: -32.392
Base-Backbone interact. energy: -0.815
local terms energy: -110.149211
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -33.693
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: 7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -577.066593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.066593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.066593 (E_RNA)
where:
Base-Base interactions energy: -377.870
where: short stacking energy: -162.297
Base-Backbone interact. energy: -0.004
local terms energy: -199.191722
where:
bonds (distance) C4'-P energy: -39.701
bonds (distance) P-C4' energy: -37.438
flat angles C4'-P-C4' energy: -32.685
flat angles P-C4'-P energy: -29.027
tors. eta vs tors. theta energy: -60.341
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: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -533.873810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.873810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.873810 (E_RNA)
where:
Base-Base interactions energy: -360.882
where: short stacking energy: -143.859
Base-Backbone interact. energy: -0.171
local terms energy: -172.821023
where:
bonds (distance) C4'-P energy: -37.883
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -38.395
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -44.907
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: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -527.449470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.449470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.449470 (E_RNA)
where:
Base-Base interactions energy: -372.980
where: short stacking energy: -143.254
Base-Backbone interact. energy: 3.375
local terms energy: -157.844905
where:
bonds (distance) C4'-P energy: -27.632
bonds (distance) P-C4' energy: -34.688
flat angles C4'-P-C4' energy: -33.240
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -40.948
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: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -390.926622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.926622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.926622 (E_RNA)
where:
Base-Base interactions energy: -237.420
where: short stacking energy: -111.329
Base-Backbone interact. energy: 1.717
local terms energy: -155.223915
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -32.748
flat angles C4'-P-C4' energy: -38.466
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -34.744
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: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -462.467766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.467766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.467766 (E_RNA)
where:
Base-Base interactions energy: -299.507
where: short stacking energy: -134.221
Base-Backbone interact. energy: -0.318
local terms energy: -162.642699
where:
bonds (distance) C4'-P energy: -36.199
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -36.057
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -41.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -323.475914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.475914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.475914 (E_RNA)
where:
Base-Base interactions energy: -187.974
where: short stacking energy: -87.454
Base-Backbone interact. energy: -1.963
local terms energy: -133.538494
where:
bonds (distance) C4'-P energy: -34.311
bonds (distance) P-C4' energy: -34.850
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -21.484
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: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -190.943732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.943732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.943732 (E_RNA)
where:
Base-Base interactions energy: -73.188
where: short stacking energy: -38.585
Base-Backbone interact. energy: -0.923
local terms energy: -116.832343
where:
bonds (distance) C4'-P energy: -37.973
bonds (distance) P-C4' energy: -29.806
flat angles C4'-P-C4' energy: -36.798
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: 2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -178.480705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.480705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.480705 (E_RNA)
where:
Base-Base interactions energy: -65.854
where: short stacking energy: -46.068
Base-Backbone interact. energy: -0.434
local terms energy: -112.193054
where:
bonds (distance) C4'-P energy: -30.398
bonds (distance) P-C4' energy: -29.484
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -174.325131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.325131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.325131 (E_RNA)
where:
Base-Base interactions energy: -64.328
where: short stacking energy: -42.026
Base-Backbone interact. energy: -1.067
local terms energy: -108.929953
where:
bonds (distance) C4'-P energy: -23.008
bonds (distance) P-C4' energy: -31.493
flat angles C4'-P-C4' energy: -28.606
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -140.451364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.451364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.451364 (E_RNA)
where:
Base-Base interactions energy: -49.959
where: short stacking energy: -25.896
Base-Backbone interact. energy: -0.467
local terms energy: -90.025505
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -31.612
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: 5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -572.312955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.312955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.312955 (E_RNA)
where:
Base-Base interactions energy: -371.742
where: short stacking energy: -171.725
Base-Backbone interact. energy: -1.087
local terms energy: -199.484010
where:
bonds (distance) C4'-P energy: -35.806
bonds (distance) P-C4' energy: -37.960
flat angles C4'-P-C4' energy: -41.081
flat angles P-C4'-P energy: -27.818
tors. eta vs tors. theta energy: -56.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -552.587156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.587156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.587156 (E_RNA)
where:
Base-Base interactions energy: -381.147
where: short stacking energy: -150.711
Base-Backbone interact. energy: -1.641
local terms energy: -169.798721
where:
bonds (distance) C4'-P energy: -38.056
bonds (distance) P-C4' energy: -35.710
flat angles C4'-P-C4' energy: -28.794
flat angles P-C4'-P energy: -26.975
tors. eta vs tors. theta energy: -40.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -519.109964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.109964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.109964 (E_RNA)
where:
Base-Base interactions energy: -350.745
where: short stacking energy: -144.721
Base-Backbone interact. energy: -1.589
local terms energy: -166.776040
where:
bonds (distance) C4'-P energy: -29.447
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -35.739
flat angles P-C4'-P energy: -22.394
tors. eta vs tors. theta energy: -45.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -474.620203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.620203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.620203 (E_RNA)
where:
Base-Base interactions energy: -311.224
where: short stacking energy: -129.820
Base-Backbone interact. energy: 0.193
local terms energy: -163.588980
where:
bonds (distance) C4'-P energy: -29.917
bonds (distance) P-C4' energy: -37.628
flat angles C4'-P-C4' energy: -33.674
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -41.489
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: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -383.220730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.220730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.220730 (E_RNA)
where:
Base-Base interactions energy: -237.518
where: short stacking energy: -98.318
Base-Backbone interact. energy: -0.718
local terms energy: -144.985487
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -42.802
flat angles C4'-P-C4' energy: -34.743
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -23.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -310.585465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.585465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.585465 (E_RNA)
where:
Base-Base interactions energy: -182.699
where: short stacking energy: -109.663
Base-Backbone interact. energy: -0.296
local terms energy: -127.590813
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -31.187
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -26.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -191.414230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.414230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.414230 (E_RNA)
where:
Base-Base interactions energy: -89.542
where: short stacking energy: -62.835
Base-Backbone interact. energy: -0.691
local terms energy: -101.181472
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -27.648
flat angles C4'-P-C4' energy: -23.906
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -10.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -164.511654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.511654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.511654 (E_RNA)
where:
Base-Base interactions energy: -55.879
where: short stacking energy: -55.635
Base-Backbone interact. energy: -0.540
local terms energy: -108.092434
where:
bonds (distance) C4'-P energy: -26.868
bonds (distance) P-C4' energy: -34.957
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -15.516
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: 403
Temperature: 1.300000
Total energy: -150.738849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.738849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.738849 (E_RNA)
where:
Base-Base interactions energy: -51.255
where: short stacking energy: -34.554
Base-Backbone interact. energy: -0.072
local terms energy: -99.412284
where:
bonds (distance) C4'-P energy: -29.907
bonds (distance) P-C4' energy: -27.069
flat angles C4'-P-C4' energy: -32.394
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: 4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -151.781177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.781177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.781177 (E_RNA)
where:
Base-Base interactions energy: -60.134
where: short stacking energy: -28.670
Base-Backbone interact. energy: -0.235
local terms energy: -91.412019
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -30.731
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -22.448
tors. eta vs tors. theta energy: 6.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -573.996663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.996663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.996663 (E_RNA)
where:
Base-Base interactions energy: -393.985
where: short stacking energy: -163.114
Base-Backbone interact. energy: -0.188
local terms energy: -179.824260
where:
bonds (distance) C4'-P energy: -34.620
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -34.685
flat angles P-C4'-P energy: -29.860
tors. eta vs tors. theta energy: -54.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -519.554640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.554640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.554640 (E_RNA)
where:
Base-Base interactions energy: -352.337
where: short stacking energy: -121.816
Base-Backbone interact. energy: -1.075
local terms energy: -166.142087
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -37.959
flat angles C4'-P-C4' energy: -36.162
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -38.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -509.715588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.715588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.715588 (E_RNA)
where:
Base-Base interactions energy: -329.934
where: short stacking energy: -136.043
Base-Backbone interact. energy: -0.397
local terms energy: -179.383861
where:
bonds (distance) C4'-P energy: -33.577
bonds (distance) P-C4' energy: -35.733
flat angles C4'-P-C4' energy: -35.949
flat angles P-C4'-P energy: -26.307
tors. eta vs tors. theta energy: -47.819
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: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -481.188618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.188618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.188618 (E_RNA)
where:
Base-Base interactions energy: -310.760
where: short stacking energy: -129.886
Base-Backbone interact. energy: -0.110
local terms energy: -170.318604
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -30.706
flat angles C4'-P-C4' energy: -37.570
flat angles P-C4'-P energy: -29.608
tors. eta vs tors. theta energy: -48.791
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: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -389.033961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.033961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.033961 (E_RNA)
where:
Base-Base interactions energy: -230.988
where: short stacking energy: -112.980
Base-Backbone interact. energy: -0.283
local terms energy: -157.762601
where:
bonds (distance) C4'-P energy: -33.434
bonds (distance) P-C4' energy: -33.063
flat angles C4'-P-C4' energy: -29.605
flat angles P-C4'-P energy: -23.147
tors. eta vs tors. theta energy: -38.513
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: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -297.894893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.894893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.894893 (E_RNA)
where:
Base-Base interactions energy: -158.111
where: short stacking energy: -86.299
Base-Backbone interact. energy: -0.158
local terms energy: -139.625452
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -37.864
flat angles C4'-P-C4' energy: -33.544
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -173.554836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.554836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.554836 (E_RNA)
where:
Base-Base interactions energy: -57.715
where: short stacking energy: -52.338
Base-Backbone interact. energy: -1.128
local terms energy: -114.711102
where:
bonds (distance) C4'-P energy: -33.354
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: 0.622
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: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -215.540813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.540813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.540813 (E_RNA)
where:
Base-Base interactions energy: -105.986
where: short stacking energy: -54.951
Base-Backbone interact. energy: -0.330
local terms energy: -109.224991
where:
bonds (distance) C4'-P energy: -35.549
bonds (distance) P-C4' energy: -29.517
flat angles C4'-P-C4' energy: -30.133
flat angles P-C4'-P energy: -9.580
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: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -159.859204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.859204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.859204 (E_RNA)
where:
Base-Base interactions energy: -61.220
where: short stacking energy: -38.992
Base-Backbone interact. energy: 1.944
local terms energy: -100.582991
where:
bonds (distance) C4'-P energy: -34.871
bonds (distance) P-C4' energy: -31.802
flat angles C4'-P-C4' energy: -28.826
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: 3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -144.734770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.734770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.734770 (E_RNA)
where:
Base-Base interactions energy: -53.656
where: short stacking energy: -34.997
Base-Backbone interact. energy: -1.462
local terms energy: -89.616428
where:
bonds (distance) C4'-P energy: -26.936
bonds (distance) P-C4' energy: -34.538
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: 5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -578.867132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.867132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.867132 (E_RNA)
where:
Base-Base interactions energy: -391.308
where: short stacking energy: -159.155
Base-Backbone interact. energy: -0.552
local terms energy: -187.006269
where:
bonds (distance) C4'-P energy: -32.636
bonds (distance) P-C4' energy: -35.599
flat angles C4'-P-C4' energy: -40.641
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -52.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -507.072867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.072867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.072867 (E_RNA)
where:
Base-Base interactions energy: -338.524
where: short stacking energy: -137.174
Base-Backbone interact. energy: -0.671
local terms energy: -167.878732
where:
bonds (distance) C4'-P energy: -33.308
bonds (distance) P-C4' energy: -29.770
flat angles C4'-P-C4' energy: -39.765
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -44.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -504.044997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.044997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.044997 (E_RNA)
where:
Base-Base interactions energy: -345.457
where: short stacking energy: -116.684
Base-Backbone interact. energy: -2.341
local terms energy: -156.246752
where:
bonds (distance) C4'-P energy: -30.682
bonds (distance) P-C4' energy: -39.675
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -32.263
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: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -507.710143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.710143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.710143 (E_RNA)
where:
Base-Base interactions energy: -341.013
where: short stacking energy: -161.776
Base-Backbone interact. energy: 1.620
local terms energy: -168.316723
where:
bonds (distance) C4'-P energy: -30.262
bonds (distance) P-C4' energy: -35.032
flat angles C4'-P-C4' energy: -27.130
flat angles P-C4'-P energy: -26.771
tors. eta vs tors. theta energy: -49.122
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: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -349.401451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.401451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.401451 (E_RNA)
where:
Base-Base interactions energy: -202.357
where: short stacking energy: -97.950
Base-Backbone interact. energy: -1.320
local terms energy: -145.724423
where:
bonds (distance) C4'-P energy: -32.816
bonds (distance) P-C4' energy: -35.465
flat angles C4'-P-C4' energy: -32.149
flat angles P-C4'-P energy: -19.544
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: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -291.224975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.224975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.224975 (E_RNA)
where:
Base-Base interactions energy: -157.335
where: short stacking energy: -81.502
Base-Backbone interact. energy: -0.385
local terms energy: -133.504832
where:
bonds (distance) C4'-P energy: -25.802
bonds (distance) P-C4' energy: -35.305
flat angles C4'-P-C4' energy: -35.103
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -187.503542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.503542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.503542 (E_RNA)
where:
Base-Base interactions energy: -80.912
where: short stacking energy: -62.389
Base-Backbone interact. energy: -0.193
local terms energy: -106.398967
where:
bonds (distance) C4'-P energy: -30.449
bonds (distance) P-C4' energy: -33.339
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -3.632
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: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -218.225120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.225120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.225120 (E_RNA)
where:
Base-Base interactions energy: -100.738
where: short stacking energy: -67.591
Base-Backbone interact. energy: -1.716
local terms energy: -115.771796
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -38.334
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -163.625292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.625292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.625292 (E_RNA)
where:
Base-Base interactions energy: -69.195
where: short stacking energy: -48.975
Base-Backbone interact. energy: -0.075
local terms energy: -94.354730
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -26.788
flat angles C4'-P-C4' energy: -35.065
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: 3.771
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: 405
Temperature: 1.350000
Total energy: -154.515350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.515350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.515350 (E_RNA)
where:
Base-Base interactions energy: -46.475
where: short stacking energy: -42.884
Base-Backbone interact. energy: -0.376
local terms energy: -107.664416
where:
bonds (distance) C4'-P energy: -35.287
bonds (distance) P-C4' energy: -29.025
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -581.462627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.462627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.462627 (E_RNA)
where:
Base-Base interactions energy: -395.773
where: short stacking energy: -163.962
Base-Backbone interact. energy: -0.600
local terms energy: -185.090558
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -35.974
flat angles C4'-P-C4' energy: -39.240
flat angles P-C4'-P energy: -27.249
tors. eta vs tors. theta energy: -55.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -522.433341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.433341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.433341 (E_RNA)
where:
Base-Base interactions energy: -350.570
where: short stacking energy: -139.945
Base-Backbone interact. energy: 0.131
local terms energy: -171.994095
where:
bonds (distance) C4'-P energy: -34.462
bonds (distance) P-C4' energy: -35.394
flat angles C4'-P-C4' energy: -39.746
flat angles P-C4'-P energy: -23.164
tors. eta vs tors. theta energy: -39.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -514.803193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.803193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.803193 (E_RNA)
where:
Base-Base interactions energy: -359.561
where: short stacking energy: -133.908
Base-Backbone interact. energy: 0.694
local terms energy: -155.935825
where:
bonds (distance) C4'-P energy: -32.709
bonds (distance) P-C4' energy: -36.726
flat angles C4'-P-C4' energy: -31.569
flat angles P-C4'-P energy: -25.715
tors. eta vs tors. theta energy: -29.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -461.691498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.691498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.691498 (E_RNA)
where:
Base-Base interactions energy: -299.807
where: short stacking energy: -124.510
Base-Backbone interact. energy: 1.372
local terms energy: -163.256083
where:
bonds (distance) C4'-P energy: -31.176
bonds (distance) P-C4' energy: -32.915
flat angles C4'-P-C4' energy: -34.189
flat angles P-C4'-P energy: -28.435
tors. eta vs tors. theta energy: -36.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -298.475066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.475066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.475066 (E_RNA)
where:
Base-Base interactions energy: -153.751
where: short stacking energy: -84.621
Base-Backbone interact. energy: -0.216
local terms energy: -144.508368
where:
bonds (distance) C4'-P energy: -30.115
bonds (distance) P-C4' energy: -37.347
flat angles C4'-P-C4' energy: -31.458
flat angles P-C4'-P energy: -23.550
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: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -307.921062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.921062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.921062 (E_RNA)
where:
Base-Base interactions energy: -174.185
where: short stacking energy: -87.909
Base-Backbone interact. energy: -0.605
local terms energy: -133.130322
where:
bonds (distance) C4'-P energy: -29.344
bonds (distance) P-C4' energy: -36.499
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -212.835209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.835209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.835209 (E_RNA)
where:
Base-Base interactions energy: -102.396
where: short stacking energy: -56.598
Base-Backbone interact. energy: 0.095
local terms energy: -110.533529
where:
bonds (distance) C4'-P energy: -33.671
bonds (distance) P-C4' energy: -22.524
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -20.917
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -180.704011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.704011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.704011 (E_RNA)
where:
Base-Base interactions energy: -58.765
where: short stacking energy: -38.701
Base-Backbone interact. energy: -2.472
local terms energy: -119.466905
where:
bonds (distance) C4'-P energy: -33.756
bonds (distance) P-C4' energy: -36.426
flat angles C4'-P-C4' energy: -29.812
flat angles P-C4'-P energy: -19.814
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -172.963025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.963025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.963025 (E_RNA)
where:
Base-Base interactions energy: -73.797
where: short stacking energy: -44.939
Base-Backbone interact. energy: -0.736
local terms energy: -98.429608
where:
bonds (distance) C4'-P energy: -30.157
bonds (distance) P-C4' energy: -25.890
flat angles C4'-P-C4' energy: -26.445
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -157.983208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.983208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.983208 (E_RNA)
where:
Base-Base interactions energy: -57.316
where: short stacking energy: -31.991
Base-Backbone interact. energy: 1.289
local terms energy: -101.956124
where:
bonds (distance) C4'-P energy: -25.213
bonds (distance) P-C4' energy: -35.692
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: 6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -562.073044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.073044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.073044 (E_RNA)
where:
Base-Base interactions energy: -381.984
where: short stacking energy: -150.353
Base-Backbone interact. energy: -1.384
local terms energy: -178.704823
where:
bonds (distance) C4'-P energy: -34.854
bonds (distance) P-C4' energy: -34.189
flat angles C4'-P-C4' energy: -40.602
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: -47.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -519.440463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.440463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.440463 (E_RNA)
where:
Base-Base interactions energy: -348.347
where: short stacking energy: -141.062
Base-Backbone interact. energy: -0.405
local terms energy: -170.688393
where:
bonds (distance) C4'-P energy: -31.521
bonds (distance) P-C4' energy: -34.728
flat angles C4'-P-C4' energy: -39.279
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -42.899
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: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -527.227731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.227731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.227731 (E_RNA)
where:
Base-Base interactions energy: -354.864
where: short stacking energy: -131.435
Base-Backbone interact. energy: -1.370
local terms energy: -170.993504
where:
bonds (distance) C4'-P energy: -36.048
bonds (distance) P-C4' energy: -32.980
flat angles C4'-P-C4' energy: -34.994
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -46.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -454.753327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.753327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.753327 (E_RNA)
where:
Base-Base interactions energy: -297.593
where: short stacking energy: -132.019
Base-Backbone interact. energy: -0.160
local terms energy: -157.000154
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -34.765
flat angles C4'-P-C4' energy: -27.938
flat angles P-C4'-P energy: -27.993
tors. eta vs tors. theta energy: -43.084
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: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -287.222410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.222410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.222410 (E_RNA)
where:
Base-Base interactions energy: -154.282
where: short stacking energy: -86.537
Base-Backbone interact. energy: -2.058
local terms energy: -130.882197
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -29.419
flat angles C4'-P-C4' energy: -28.956
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: -22.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -301.067699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.067699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.067699 (E_RNA)
where:
Base-Base interactions energy: -176.399
where: short stacking energy: -77.515
Base-Backbone interact. energy: -1.212
local terms energy: -123.457385
where:
bonds (distance) C4'-P energy: -23.574
bonds (distance) P-C4' energy: -38.595
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -27.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -180.418054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.418054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.418054 (E_RNA)
where:
Base-Base interactions energy: -68.676
where: short stacking energy: -67.614
Base-Backbone interact. energy: -2.782
local terms energy: -108.959731
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -36.439
flat angles C4'-P-C4' energy: -28.479
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -6.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -175.890705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.890705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.890705 (E_RNA)
where:
Base-Base interactions energy: -77.294
where: short stacking energy: -60.611
Base-Backbone interact. energy: 1.081
local terms energy: -99.678017
where:
bonds (distance) C4'-P energy: -26.048
bonds (distance) P-C4' energy: -28.908
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -149.491059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.491059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.491059 (E_RNA)
where:
Base-Base interactions energy: -41.028
where: short stacking energy: -37.017
Base-Backbone interact. energy: -2.101
local terms energy: -106.362366
where:
bonds (distance) C4'-P energy: -26.134
bonds (distance) P-C4' energy: -31.987
flat angles C4'-P-C4' energy: -33.450
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: 4.520
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: 407
Temperature: 1.350000
Total energy: -143.859412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.859412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.859412 (E_RNA)
where:
Base-Base interactions energy: -45.452
where: short stacking energy: -21.472
Base-Backbone interact. energy: -0.577
local terms energy: -97.831214
where:
bonds (distance) C4'-P energy: -32.997
bonds (distance) P-C4' energy: -32.814
flat angles C4'-P-C4' energy: -23.731
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: 9.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -572.757495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.757495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.757495 (E_RNA)
where:
Base-Base interactions energy: -389.947
where: short stacking energy: -172.946
Base-Backbone interact. energy: 0.166
local terms energy: -182.976851
where:
bonds (distance) C4'-P energy: -35.352
bonds (distance) P-C4' energy: -39.985
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -52.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -521.221511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.221511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.221511 (E_RNA)
where:
Base-Base interactions energy: -348.517
where: short stacking energy: -144.225
Base-Backbone interact. energy: -1.046
local terms energy: -171.658535
where:
bonds (distance) C4'-P energy: -33.218
bonds (distance) P-C4' energy: -38.958
flat angles C4'-P-C4' energy: -37.302
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: -41.966
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: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -523.822702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.822702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.822702 (E_RNA)
where:
Base-Base interactions energy: -366.744
where: short stacking energy: -131.836
Base-Backbone interact. energy: -1.328
local terms energy: -155.751066
where:
bonds (distance) C4'-P energy: -33.776
bonds (distance) P-C4' energy: -29.887
flat angles C4'-P-C4' energy: -25.209
flat angles P-C4'-P energy: -22.301
tors. eta vs tors. theta energy: -44.578
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: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -454.250011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.250011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.250011 (E_RNA)
where:
Base-Base interactions energy: -297.008
where: short stacking energy: -141.630
Base-Backbone interact. energy: -0.889
local terms energy: -156.353268
where:
bonds (distance) C4'-P energy: -35.662
bonds (distance) P-C4' energy: -28.204
flat angles C4'-P-C4' energy: -35.353
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -44.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -332.182943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.182943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.182943 (E_RNA)
where:
Base-Base interactions energy: -193.448
where: short stacking energy: -107.497
Base-Backbone interact. energy: -0.379
local terms energy: -138.355775
where:
bonds (distance) C4'-P energy: -28.231
bonds (distance) P-C4' energy: -33.699
flat angles C4'-P-C4' energy: -33.518
flat angles P-C4'-P energy: -21.267
tors. eta vs tors. theta energy: -21.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -334.288473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.288473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.288473 (E_RNA)
where:
Base-Base interactions energy: -194.807
where: short stacking energy: -91.008
Base-Backbone interact. energy: 1.065
local terms energy: -140.545820
where:
bonds (distance) C4'-P energy: -32.350
bonds (distance) P-C4' energy: -30.535
flat angles C4'-P-C4' energy: -36.986
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -180.345720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.345720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.345720 (E_RNA)
where:
Base-Base interactions energy: -79.522
where: short stacking energy: -46.861
Base-Backbone interact. energy: -0.517
local terms energy: -100.307128
where:
bonds (distance) C4'-P energy: -26.896
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -34.140
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: 5.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -180.683947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.683947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.683947 (E_RNA)
where:
Base-Base interactions energy: -81.394
where: short stacking energy: -46.124
Base-Backbone interact. energy: -0.146
local terms energy: -99.143545
where:
bonds (distance) C4'-P energy: -29.685
bonds (distance) P-C4' energy: -27.716
flat angles C4'-P-C4' energy: -29.658
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: 2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -159.513442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.513442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.513442 (E_RNA)
where:
Base-Base interactions energy: -49.371
where: short stacking energy: -34.438
Base-Backbone interact. energy: 2.723
local terms energy: -112.864650
where:
bonds (distance) C4'-P energy: -33.365
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -31.815
flat angles P-C4'-P energy: -20.660
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: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -161.169639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.169639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.169639 (E_RNA)
where:
Base-Base interactions energy: -66.238
where: short stacking energy: -50.049
Base-Backbone interact. energy: -0.503
local terms energy: -94.428661
where:
bonds (distance) C4'-P energy: -30.257
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -568.185631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.185631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.185631 (E_RNA)
where:
Base-Base interactions energy: -382.770
where: short stacking energy: -170.818
Base-Backbone interact. energy: -0.065
local terms energy: -185.350639
where:
bonds (distance) C4'-P energy: -29.666
bonds (distance) P-C4' energy: -34.571
flat angles C4'-P-C4' energy: -36.735
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -57.498
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: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -547.902115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.902115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.902115 (E_RNA)
where:
Base-Base interactions energy: -379.472
where: short stacking energy: -133.890
Base-Backbone interact. energy: -0.595
local terms energy: -167.834204
where:
bonds (distance) C4'-P energy: -38.691
bonds (distance) P-C4' energy: -34.339
flat angles C4'-P-C4' energy: -30.289
flat angles P-C4'-P energy: -20.609
tors. eta vs tors. theta energy: -43.907
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: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -492.246969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.246969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.246969 (E_RNA)
where:
Base-Base interactions energy: -335.516
where: short stacking energy: -141.177
Base-Backbone interact. energy: -0.294
local terms energy: -156.437315
where:
bonds (distance) C4'-P energy: -35.833
bonds (distance) P-C4' energy: -35.251
flat angles C4'-P-C4' energy: -32.478
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -37.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -459.056860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.056860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.056860 (E_RNA)
where:
Base-Base interactions energy: -289.470
where: short stacking energy: -122.834
Base-Backbone interact. energy: -0.150
local terms energy: -169.436711
where:
bonds (distance) C4'-P energy: -30.176
bonds (distance) P-C4' energy: -33.352
flat angles C4'-P-C4' energy: -36.115
flat angles P-C4'-P energy: -27.566
tors. eta vs tors. theta energy: -42.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -311.729774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.729774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.729774 (E_RNA)
where:
Base-Base interactions energy: -173.662
where: short stacking energy: -97.009
Base-Backbone interact. energy: 2.757
local terms energy: -140.824942
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -35.390
flat angles C4'-P-C4' energy: -29.364
flat angles P-C4'-P energy: -28.216
tors. eta vs tors. theta energy: -24.668
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: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -245.776046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.776046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.776046 (E_RNA)
where:
Base-Base interactions energy: -139.998
where: short stacking energy: -65.515
Base-Backbone interact. energy: 0.279
local terms energy: -106.057366
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -30.034
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -7.141
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: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -286.813695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.813695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.813695 (E_RNA)
where:
Base-Base interactions energy: -161.846
where: short stacking energy: -76.620
Base-Backbone interact. energy: 1.226
local terms energy: -126.193056
where:
bonds (distance) C4'-P energy: -35.138
bonds (distance) P-C4' energy: -35.271
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -24.166
tors. eta vs tors. theta energy: -10.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -186.912067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.912067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.912067 (E_RNA)
where:
Base-Base interactions energy: -69.465
where: short stacking energy: -42.202
Base-Backbone interact. energy: -0.580
local terms energy: -116.867258
where:
bonds (distance) C4'-P energy: -33.964
bonds (distance) P-C4' energy: -33.796
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -162.785778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.785778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.785778 (E_RNA)
where:
Base-Base interactions energy: -61.150
where: short stacking energy: -52.843
Base-Backbone interact. energy: -0.378
local terms energy: -101.258169
where:
bonds (distance) C4'-P energy: -27.884
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -24.650
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: 10, replica: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -165.226816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.226816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.226816 (E_RNA)
where:
Base-Base interactions energy: -60.132
where: short stacking energy: -53.403
Base-Backbone interact. energy: -0.347
local terms energy: -104.748012
where:
bonds (distance) C4'-P energy: -28.690
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -19.653
tors. eta vs tors. theta energy: -4.815
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: 410
Temperature: 0.900000
Total energy: -569.055253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.055253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.055253 (E_RNA)
where:
Base-Base interactions energy: -377.939
where: short stacking energy: -158.645
Base-Backbone interact. energy: -0.195
local terms energy: -190.920985
where:
bonds (distance) C4'-P energy: -34.172
bonds (distance) P-C4' energy: -40.161
flat angles C4'-P-C4' energy: -37.878
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -55.133
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: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -565.134685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.134685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.134685 (E_RNA)
where:
Base-Base interactions energy: -395.359
where: short stacking energy: -136.889
Base-Backbone interact. energy: -0.293
local terms energy: -169.482771
where:
bonds (distance) C4'-P energy: -34.134
bonds (distance) P-C4' energy: -33.451
flat angles C4'-P-C4' energy: -35.709
flat angles P-C4'-P energy: -22.131
tors. eta vs tors. theta energy: -44.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -495.526791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.526791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.526791 (E_RNA)
where:
Base-Base interactions energy: -329.090
where: short stacking energy: -139.697
Base-Backbone interact. energy: -1.972
local terms energy: -164.465017
where:
bonds (distance) C4'-P energy: -34.501
bonds (distance) P-C4' energy: -31.079
flat angles C4'-P-C4' energy: -38.655
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: -41.257
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: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -472.226175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.226175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.226175 (E_RNA)
where:
Base-Base interactions energy: -315.206
where: short stacking energy: -149.147
Base-Backbone interact. energy: -0.205
local terms energy: -156.815124
where:
bonds (distance) C4'-P energy: -32.777
bonds (distance) P-C4' energy: -26.702
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -21.777
tors. eta vs tors. theta energy: -41.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -332.609145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.609145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.609145 (E_RNA)
where:
Base-Base interactions energy: -193.897
where: short stacking energy: -90.870
Base-Backbone interact. energy: -0.376
local terms energy: -138.336273
where:
bonds (distance) C4'-P energy: -30.971
bonds (distance) P-C4' energy: -33.187
flat angles C4'-P-C4' energy: -31.456
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -22.140
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: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -337.977359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.977359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.977359 (E_RNA)
where:
Base-Base interactions energy: -191.963
where: short stacking energy: -91.547
Base-Backbone interact. energy: -1.375
local terms energy: -144.639462
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -32.139
flat angles C4'-P-C4' energy: -34.177
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: -23.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -277.903150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.903150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.903150 (E_RNA)
where:
Base-Base interactions energy: -155.969
where: short stacking energy: -70.017
Base-Backbone interact. energy: 2.000
local terms energy: -123.934025
where:
bonds (distance) C4'-P energy: -35.593
bonds (distance) P-C4' energy: -34.216
flat angles C4'-P-C4' energy: -37.981
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -2.601
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: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -184.643441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.643441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.643441 (E_RNA)
where:
Base-Base interactions energy: -71.276
where: short stacking energy: -50.091
Base-Backbone interact. energy: 1.147
local terms energy: -114.514807
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -41.097
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -153.728049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.728049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.728049 (E_RNA)
where:
Base-Base interactions energy: -49.825
where: short stacking energy: -35.794
Base-Backbone interact. energy: -1.665
local terms energy: -102.237946
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -40.061
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: 8.837
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: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -184.902010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.902010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.902010 (E_RNA)
where:
Base-Base interactions energy: -88.670
where: short stacking energy: -48.367
Base-Backbone interact. energy: -2.618
local terms energy: -93.613939
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -34.166
flat angles C4'-P-C4' energy: -30.656
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: 5.234
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: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -559.294307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.294307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.294307 (E_RNA)
where:
Base-Base interactions energy: -388.874
where: short stacking energy: -164.770
Base-Backbone interact. energy: -0.730
local terms energy: -169.690336
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -29.137
flat angles C4'-P-C4' energy: -37.783
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -52.135
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: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -542.765511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.765511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.765511 (E_RNA)
where:
Base-Base interactions energy: -375.781
where: short stacking energy: -136.165
Base-Backbone interact. energy: -0.997
local terms energy: -165.987526
where:
bonds (distance) C4'-P energy: -32.598
bonds (distance) P-C4' energy: -33.961
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: -45.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -502.829756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.829756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.829756 (E_RNA)
where:
Base-Base interactions energy: -329.135
where: short stacking energy: -136.630
Base-Backbone interact. energy: -0.904
local terms energy: -172.791461
where:
bonds (distance) C4'-P energy: -34.911
bonds (distance) P-C4' energy: -33.791
flat angles C4'-P-C4' energy: -33.529
flat angles P-C4'-P energy: -29.836
tors. eta vs tors. theta energy: -40.724
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: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -454.917294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.917294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.917294 (E_RNA)
where:
Base-Base interactions energy: -286.221
where: short stacking energy: -128.283
Base-Backbone interact. energy: -0.187
local terms energy: -168.508652
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -44.303
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -45.968
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: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -332.446355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.446355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.446355 (E_RNA)
where:
Base-Base interactions energy: -193.696
where: short stacking energy: -104.669
Base-Backbone interact. energy: -0.194
local terms energy: -138.556761
where:
bonds (distance) C4'-P energy: -28.425
bonds (distance) P-C4' energy: -29.233
flat angles C4'-P-C4' energy: -33.300
flat angles P-C4'-P energy: -24.579
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: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -314.729114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.729114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.729114 (E_RNA)
where:
Base-Base interactions energy: -191.720
where: short stacking energy: -66.885
Base-Backbone interact. energy: -0.504
local terms energy: -122.504564
where:
bonds (distance) C4'-P energy: -25.067
bonds (distance) P-C4' energy: -30.968
flat angles C4'-P-C4' energy: -38.086
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -12.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -260.204013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.204013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.204013 (E_RNA)
where:
Base-Base interactions energy: -154.253
where: short stacking energy: -67.711
Base-Backbone interact. energy: -0.713
local terms energy: -105.238371
where:
bonds (distance) C4'-P energy: -32.795
bonds (distance) P-C4' energy: -30.773
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -176.490241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.490241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.490241 (E_RNA)
where:
Base-Base interactions energy: -74.264
where: short stacking energy: -59.951
Base-Backbone interact. energy: 1.082
local terms energy: -103.308144
where:
bonds (distance) C4'-P energy: -31.536
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -28.277
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -159.177013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.177013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.177013 (E_RNA)
where:
Base-Base interactions energy: -62.831
where: short stacking energy: -49.727
Base-Backbone interact. energy: -0.461
local terms energy: -95.884911
where:
bonds (distance) C4'-P energy: -27.193
bonds (distance) P-C4' energy: -24.480
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -151.776820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.776820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.776820 (E_RNA)
where:
Base-Base interactions energy: -56.091
where: short stacking energy: -42.136
Base-Backbone interact. energy: -1.661
local terms energy: -94.025294
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -1.584
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: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -566.185049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.185049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.185049 (E_RNA)
where:
Base-Base interactions energy: -378.721
where: short stacking energy: -160.843
Base-Backbone interact. energy: -0.073
local terms energy: -187.390445
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -38.356
flat angles C4'-P-C4' energy: -40.379
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -59.030
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: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -563.237046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.237046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.237046 (E_RNA)
where:
Base-Base interactions energy: -387.568
where: short stacking energy: -147.528
Base-Backbone interact. energy: -2.230
local terms energy: -173.439093
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -37.270
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -46.806
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: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -510.922118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.922118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.922118 (E_RNA)
where:
Base-Base interactions energy: -344.628
where: short stacking energy: -155.254
Base-Backbone interact. energy: 1.060
local terms energy: -167.353773
where:
bonds (distance) C4'-P energy: -34.025
bonds (distance) P-C4' energy: -29.261
flat angles C4'-P-C4' energy: -30.931
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: -48.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -487.341036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.341036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.341036 (E_RNA)
where:
Base-Base interactions energy: -323.313
where: short stacking energy: -137.108
Base-Backbone interact. energy: -0.332
local terms energy: -163.696498
where:
bonds (distance) C4'-P energy: -32.118
bonds (distance) P-C4' energy: -35.186
flat angles C4'-P-C4' energy: -29.929
flat angles P-C4'-P energy: -21.825
tors. eta vs tors. theta energy: -44.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -368.391813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.391813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.391813 (E_RNA)
where:
Base-Base interactions energy: -224.314
where: short stacking energy: -102.341
Base-Backbone interact. energy: -0.796
local terms energy: -143.281667
where:
bonds (distance) C4'-P energy: -36.224
bonds (distance) P-C4' energy: -29.831
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -28.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -336.848705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.848705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.848705 (E_RNA)
where:
Base-Base interactions energy: -204.175
where: short stacking energy: -79.713
Base-Backbone interact. energy: -1.456
local terms energy: -131.217592
where:
bonds (distance) C4'-P energy: -29.072
bonds (distance) P-C4' energy: -35.208
flat angles C4'-P-C4' energy: -30.843
flat angles P-C4'-P energy: -23.780
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -292.995653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.995653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.995653 (E_RNA)
where:
Base-Base interactions energy: -164.583
where: short stacking energy: -63.254
Base-Backbone interact. energy: -0.660
local terms energy: -127.753163
where:
bonds (distance) C4'-P energy: -32.110
bonds (distance) P-C4' energy: -37.700
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -174.771684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.771684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.771684 (E_RNA)
where:
Base-Base interactions energy: -80.373
where: short stacking energy: -55.035
Base-Backbone interact. energy: -0.817
local terms energy: -93.581630
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -37.135
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: 2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -164.926387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.926387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.926387 (E_RNA)
where:
Base-Base interactions energy: -52.438
where: short stacking energy: -30.751
Base-Backbone interact. energy: 2.029
local terms energy: -114.516740
where:
bonds (distance) C4'-P energy: -35.924
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: 2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -151.520131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.520131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.520131 (E_RNA)
where:
Base-Base interactions energy: -55.048
where: short stacking energy: -41.505
Base-Backbone interact. energy: 1.812
local terms energy: -98.284375
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -33.462
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: 5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -582.579331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.579331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.579331 (E_RNA)
where:
Base-Base interactions energy: -390.727
where: short stacking energy: -156.385
Base-Backbone interact. energy: -0.796
local terms energy: -191.055890
where:
bonds (distance) C4'-P energy: -33.300
bonds (distance) P-C4' energy: -32.759
flat angles C4'-P-C4' energy: -40.724
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: -58.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -534.961645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.961645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.961645 (E_RNA)
where:
Base-Base interactions energy: -375.426
where: short stacking energy: -146.013
Base-Backbone interact. energy: 0.850
local terms energy: -160.385721
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -37.779
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -45.389
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: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -503.926918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.926918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.926918 (E_RNA)
where:
Base-Base interactions energy: -328.384
where: short stacking energy: -157.457
Base-Backbone interact. energy: -0.086
local terms energy: -175.457635
where:
bonds (distance) C4'-P energy: -28.554
bonds (distance) P-C4' energy: -30.963
flat angles C4'-P-C4' energy: -33.947
flat angles P-C4'-P energy: -32.222
tors. eta vs tors. theta energy: -49.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -476.204449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.204449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.204449 (E_RNA)
where:
Base-Base interactions energy: -312.803
where: short stacking energy: -131.777
Base-Backbone interact. energy: -0.392
local terms energy: -163.009310
where:
bonds (distance) C4'-P energy: -33.668
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -41.723
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: -40.069
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: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -355.198087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.198087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.198087 (E_RNA)
where:
Base-Base interactions energy: -200.023
where: short stacking energy: -90.203
Base-Backbone interact. energy: -0.422
local terms energy: -154.753490
where:
bonds (distance) C4'-P energy: -36.189
bonds (distance) P-C4' energy: -40.144
flat angles C4'-P-C4' energy: -36.237
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -363.542045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.542045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.542045 (E_RNA)
where:
Base-Base interactions energy: -217.560
where: short stacking energy: -97.024
Base-Backbone interact. energy: 0.872
local terms energy: -146.854588
where:
bonds (distance) C4'-P energy: -32.145
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -31.326
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: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -254.229178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.229178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.229178 (E_RNA)
where:
Base-Base interactions energy: -156.076
where: short stacking energy: -64.984
Base-Backbone interact. energy: 2.252
local terms energy: -100.404911
where:
bonds (distance) C4'-P energy: -25.171
bonds (distance) P-C4' energy: -33.619
flat angles C4'-P-C4' energy: -29.398
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -193.465957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.465957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.465957 (E_RNA)
where:
Base-Base interactions energy: -90.506
where: short stacking energy: -51.009
Base-Backbone interact. energy: 3.080
local terms energy: -106.039562
where:
bonds (distance) C4'-P energy: -33.772
bonds (distance) P-C4' energy: -32.105
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -16.608
tors. eta vs tors. theta energy: 0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -165.676350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.676350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.676350 (E_RNA)
where:
Base-Base interactions energy: -75.607
where: short stacking energy: -43.179
Base-Backbone interact. energy: -0.529
local terms energy: -89.540476
where:
bonds (distance) C4'-P energy: -28.356
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: 1.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -137.022689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.022689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.022689 (E_RNA)
where:
Base-Base interactions energy: -48.116
where: short stacking energy: -35.502
Base-Backbone interact. energy: 1.508
local terms energy: -90.414991
where:
bonds (distance) C4'-P energy: -28.770
bonds (distance) P-C4' energy: -34.746
flat angles C4'-P-C4' energy: -26.028
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: 8.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -568.172544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.172544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.172544 (E_RNA)
where:
Base-Base interactions energy: -380.905
where: short stacking energy: -157.565
Base-Backbone interact. energy: -0.008
local terms energy: -187.259732
where:
bonds (distance) C4'-P energy: -37.267
bonds (distance) P-C4' energy: -29.935
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -26.810
tors. eta vs tors. theta energy: -57.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -537.304057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.304057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.304057 (E_RNA)
where:
Base-Base interactions energy: -361.773
where: short stacking energy: -133.256
Base-Backbone interact. energy: -0.585
local terms energy: -174.945389
where:
bonds (distance) C4'-P energy: -32.911
bonds (distance) P-C4' energy: -41.868
flat angles C4'-P-C4' energy: -37.605
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -41.832
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: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -515.079419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.079419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.079419 (E_RNA)
where:
Base-Base interactions energy: -349.652
where: short stacking energy: -158.649
Base-Backbone interact. energy: -0.990
local terms energy: -164.437313
where:
bonds (distance) C4'-P energy: -30.960
bonds (distance) P-C4' energy: -27.718
flat angles C4'-P-C4' energy: -31.202
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -52.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -498.877763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.877763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.877763 (E_RNA)
where:
Base-Base interactions energy: -332.243
where: short stacking energy: -147.508
Base-Backbone interact. energy: -1.318
local terms energy: -165.316813
where:
bonds (distance) C4'-P energy: -34.236
bonds (distance) P-C4' energy: -34.856
flat angles C4'-P-C4' energy: -36.597
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -45.332
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: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -344.186016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.186016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.186016 (E_RNA)
where:
Base-Base interactions energy: -205.673
where: short stacking energy: -100.235
Base-Backbone interact. energy: -0.193
local terms energy: -138.319719
where:
bonds (distance) C4'-P energy: -31.408
bonds (distance) P-C4' energy: -27.998
flat angles C4'-P-C4' energy: -35.872
flat angles P-C4'-P energy: -21.447
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: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -308.666180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.666180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.666180 (E_RNA)
where:
Base-Base interactions energy: -181.272
where: short stacking energy: -75.658
Base-Backbone interact. energy: -0.047
local terms energy: -127.347759
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -23.127
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -184.488362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.488362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.488362 (E_RNA)
where:
Base-Base interactions energy: -66.531
where: short stacking energy: -63.607
Base-Backbone interact. energy: -1.074
local terms energy: -116.882980
where:
bonds (distance) C4'-P energy: -24.385
bonds (distance) P-C4' energy: -42.170
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -192.923992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.923992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.923992 (E_RNA)
where:
Base-Base interactions energy: -82.383
where: short stacking energy: -61.534
Base-Backbone interact. energy: -1.941
local terms energy: -108.599610
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -33.615
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -154.359120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.359120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.359120 (E_RNA)
where:
Base-Base interactions energy: -61.820
where: short stacking energy: -14.846
Base-Backbone interact. energy: -0.286
local terms energy: -92.253263
where:
bonds (distance) C4'-P energy: -27.436
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: 11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -145.940534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.940534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.940534 (E_RNA)
where:
Base-Base interactions energy: -50.545
where: short stacking energy: -45.259
Base-Backbone interact. energy: -0.885
local terms energy: -94.510521
where:
bonds (distance) C4'-P energy: -29.290
bonds (distance) P-C4' energy: -39.121
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: 11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -568.872430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.872430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.872430 (E_RNA)
where:
Base-Base interactions energy: -388.855
where: short stacking energy: -170.499
Base-Backbone interact. energy: -0.544
local terms energy: -179.472647
where:
bonds (distance) C4'-P energy: -33.018
bonds (distance) P-C4' energy: -34.817
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -23.360
tors. eta vs tors. theta energy: -52.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -539.066729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.066729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.066729 (E_RNA)
where:
Base-Base interactions energy: -392.128
where: short stacking energy: -131.960
Base-Backbone interact. energy: 2.272
local terms energy: -149.211670
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -27.851
flat angles C4'-P-C4' energy: -36.104
flat angles P-C4'-P energy: -19.530
tors. eta vs tors. theta energy: -37.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -515.060149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.060149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.060149 (E_RNA)
where:
Base-Base interactions energy: -346.965
where: short stacking energy: -152.526
Base-Backbone interact. energy: -1.132
local terms energy: -166.963081
where:
bonds (distance) C4'-P energy: -32.305
bonds (distance) P-C4' energy: -39.155
flat angles C4'-P-C4' energy: -26.398
flat angles P-C4'-P energy: -20.889
tors. eta vs tors. theta energy: -48.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -513.428279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.428279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.428279 (E_RNA)
where:
Base-Base interactions energy: -340.922
where: short stacking energy: -131.200
Base-Backbone interact. energy: -1.001
local terms energy: -171.504885
where:
bonds (distance) C4'-P energy: -33.939
bonds (distance) P-C4' energy: -31.948
flat angles C4'-P-C4' energy: -33.326
flat angles P-C4'-P energy: -24.602
tors. eta vs tors. theta energy: -47.689
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: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -369.907295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.907295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.907295 (E_RNA)
where:
Base-Base interactions energy: -226.377
where: short stacking energy: -101.179
Base-Backbone interact. energy: 0.363
local terms energy: -143.893833
where:
bonds (distance) C4'-P energy: -37.396
bonds (distance) P-C4' energy: -34.514
flat angles C4'-P-C4' energy: -26.580
flat angles P-C4'-P energy: -18.860
tors. eta vs tors. theta energy: -26.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -298.961594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.961594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.961594 (E_RNA)
where:
Base-Base interactions energy: -159.097
where: short stacking energy: -59.010
Base-Backbone interact. energy: -2.010
local terms energy: -137.854630
where:
bonds (distance) C4'-P energy: -34.444
bonds (distance) P-C4' energy: -32.861
flat angles C4'-P-C4' energy: -31.029
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -19.784
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: 415
Temperature: 1.200000
Total energy: -183.133700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.133700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.133700 (E_RNA)
where:
Base-Base interactions energy: -64.506
where: short stacking energy: -56.160
Base-Backbone interact. energy: -0.533
local terms energy: -118.094687
where:
bonds (distance) C4'-P energy: -26.879
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -25.809
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -197.468648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.468648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.468648 (E_RNA)
where:
Base-Base interactions energy: -94.854
where: short stacking energy: -42.926
Base-Backbone interact. energy: 1.364
local terms energy: -103.977939
where:
bonds (distance) C4'-P energy: -26.382
bonds (distance) P-C4' energy: -28.818
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -218.534427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.534427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.534427 (E_RNA)
where:
Base-Base interactions energy: -116.026
where: short stacking energy: -68.447
Base-Backbone interact. energy: -0.501
local terms energy: -102.007532
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -31.016
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -145.482921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.482921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.482921 (E_RNA)
where:
Base-Base interactions energy: -43.192
where: short stacking energy: -37.292
Base-Backbone interact. energy: -0.808
local terms energy: -101.482195
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -36.183
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -559.152044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.152044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.152044 (E_RNA)
where:
Base-Base interactions energy: -389.163
where: short stacking energy: -148.176
Base-Backbone interact. energy: -2.624
local terms energy: -167.365289
where:
bonds (distance) C4'-P energy: -36.891
bonds (distance) P-C4' energy: -33.357
flat angles C4'-P-C4' energy: -35.085
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -40.396
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: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -567.198013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.198013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.198013 (E_RNA)
where:
Base-Base interactions energy: -378.098
where: short stacking energy: -168.091
Base-Backbone interact. energy: -0.537
local terms energy: -188.563508
where:
bonds (distance) C4'-P energy: -36.621
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -41.214
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: -56.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -511.730646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.730646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.730646 (E_RNA)
where:
Base-Base interactions energy: -340.690
where: short stacking energy: -134.060
Base-Backbone interact. energy: -0.774
local terms energy: -170.266828
where:
bonds (distance) C4'-P energy: -34.602
bonds (distance) P-C4' energy: -29.531
flat angles C4'-P-C4' energy: -38.824
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -48.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -510.362257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.362257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.362257 (E_RNA)
where:
Base-Base interactions energy: -336.313
where: short stacking energy: -172.510
Base-Backbone interact. energy: 0.559
local terms energy: -174.608791
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -31.483
flat angles C4'-P-C4' energy: -35.870
flat angles P-C4'-P energy: -25.481
tors. eta vs tors. theta energy: -54.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -393.083294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.083294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.083294 (E_RNA)
where:
Base-Base interactions energy: -245.270
where: short stacking energy: -100.818
Base-Backbone interact. energy: 3.772
local terms energy: -151.585241
where:
bonds (distance) C4'-P energy: -29.507
bonds (distance) P-C4' energy: -38.247
flat angles C4'-P-C4' energy: -37.938
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -32.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -287.168766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.168766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.168766 (E_RNA)
where:
Base-Base interactions energy: -157.474
where: short stacking energy: -85.826
Base-Backbone interact. energy: -1.227
local terms energy: -128.467895
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -31.726
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -20.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -178.131500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.131500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.131500 (E_RNA)
where:
Base-Base interactions energy: -84.997
where: short stacking energy: -51.288
Base-Backbone interact. energy: 0.275
local terms energy: -93.410045
where:
bonds (distance) C4'-P energy: -29.352
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -26.803
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: 2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -169.532658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.532658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.532658 (E_RNA)
where:
Base-Base interactions energy: -45.744
where: short stacking energy: -29.955
Base-Backbone interact. energy: -0.363
local terms energy: -123.425743
where:
bonds (distance) C4'-P energy: -32.256
bonds (distance) P-C4' energy: -36.876
flat angles C4'-P-C4' energy: -26.906
flat angles P-C4'-P energy: -23.185
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -176.198999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.198999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.198999 (E_RNA)
where:
Base-Base interactions energy: -63.430
where: short stacking energy: -46.565
Base-Backbone interact. energy: -0.248
local terms energy: -112.521186
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -37.460
flat angles P-C4'-P energy: -14.500
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)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -152.654911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.654911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.654911 (E_RNA)
where:
Base-Base interactions energy: -54.858
where: short stacking energy: -36.316
Base-Backbone interact. energy: -0.407
local terms energy: -97.390425
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -27.463
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -22.686
tors. eta vs tors. theta energy: 4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -558.208419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.208419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.208419 (E_RNA)
where:
Base-Base interactions energy: -398.701
where: short stacking energy: -145.700
Base-Backbone interact. energy: -2.345
local terms energy: -157.161912
where:
bonds (distance) C4'-P energy: -32.733
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -35.408
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: -36.930
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: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -553.857413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.857413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.857413 (E_RNA)
where:
Base-Base interactions energy: -370.206
where: short stacking energy: -153.877
Base-Backbone interact. energy: 1.319
local terms energy: -184.971043
where:
bonds (distance) C4'-P energy: -31.246
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -28.674
tors. eta vs tors. theta energy: -54.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -517.843620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.843620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.843620 (E_RNA)
where:
Base-Base interactions energy: -350.411
where: short stacking energy: -139.038
Base-Backbone interact. energy: -0.024
local terms energy: -167.408564
where:
bonds (distance) C4'-P energy: -34.965
bonds (distance) P-C4' energy: -33.124
flat angles C4'-P-C4' energy: -35.461
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -43.885
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: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -491.152206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.152206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.152206 (E_RNA)
where:
Base-Base interactions energy: -323.530
where: short stacking energy: -134.963
Base-Backbone interact. energy: 0.661
local terms energy: -168.282988
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -35.182
flat angles C4'-P-C4' energy: -38.241
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -48.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -386.541166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.541166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.541166 (E_RNA)
where:
Base-Base interactions energy: -245.457
where: short stacking energy: -90.179
Base-Backbone interact. energy: 0.388
local terms energy: -141.472194
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -34.851
flat angles C4'-P-C4' energy: -36.987
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -28.183
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: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -287.791334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.791334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.791334 (E_RNA)
where:
Base-Base interactions energy: -158.117
where: short stacking energy: -78.533
Base-Backbone interact. energy: -0.486
local terms energy: -129.187924
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -32.521
flat angles P-C4'-P energy: -24.306
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -189.814087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.814087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.814087 (E_RNA)
where:
Base-Base interactions energy: -79.078
where: short stacking energy: -46.124
Base-Backbone interact. energy: -2.362
local terms energy: -108.374208
where:
bonds (distance) C4'-P energy: -33.197
bonds (distance) P-C4' energy: -27.733
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -166.379117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.379117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.379117 (E_RNA)
where:
Base-Base interactions energy: -53.658
where: short stacking energy: -37.799
Base-Backbone interact. energy: -0.864
local terms energy: -111.857364
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -36.318
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -23.007
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -182.388257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.388257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.388257 (E_RNA)
where:
Base-Base interactions energy: -77.771
where: short stacking energy: -59.351
Base-Backbone interact. energy: -1.096
local terms energy: -103.521082
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -33.436
flat angles C4'-P-C4' energy: -28.650
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -154.761241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.761241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.761241 (E_RNA)
where:
Base-Base interactions energy: -50.237
where: short stacking energy: -29.679
Base-Backbone interact. energy: -1.391
local terms energy: -103.133829
where:
bonds (distance) C4'-P energy: -34.645
bonds (distance) P-C4' energy: -31.810
flat angles C4'-P-C4' energy: -39.107
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: 7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -573.524932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.524932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.524932 (E_RNA)
where:
Base-Base interactions energy: -382.522
where: short stacking energy: -161.305
Base-Backbone interact. energy: -0.043
local terms energy: -190.959985
where:
bonds (distance) C4'-P energy: -34.019
bonds (distance) P-C4' energy: -38.080
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -26.830
tors. eta vs tors. theta energy: -55.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -553.427750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.427750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.427750 (E_RNA)
where:
Base-Base interactions energy: -395.570
where: short stacking energy: -140.722
Base-Backbone interact. energy: 0.119
local terms energy: -157.976714
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -32.864
flat angles C4'-P-C4' energy: -30.804
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -40.118
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: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -505.451085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.451085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.451085 (E_RNA)
where:
Base-Base interactions energy: -346.594
where: short stacking energy: -140.303
Base-Backbone interact. energy: -0.514
local terms energy: -158.342476
where:
bonds (distance) C4'-P energy: -29.914
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -39.345
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -42.677
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: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -474.294192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.294192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.294192 (E_RNA)
where:
Base-Base interactions energy: -294.434
where: short stacking energy: -133.975
Base-Backbone interact. energy: -1.318
local terms energy: -178.541864
where:
bonds (distance) C4'-P energy: -36.724
bonds (distance) P-C4' energy: -35.407
flat angles C4'-P-C4' energy: -35.271
flat angles P-C4'-P energy: -25.253
tors. eta vs tors. theta energy: -45.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -417.567900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.567900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.567900 (E_RNA)
where:
Base-Base interactions energy: -260.740
where: short stacking energy: -91.265
Base-Backbone interact. energy: 1.819
local terms energy: -158.646984
where:
bonds (distance) C4'-P energy: -32.037
bonds (distance) P-C4' energy: -37.463
flat angles C4'-P-C4' energy: -31.534
flat angles P-C4'-P energy: -30.078
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: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -289.236663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.236663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.236663 (E_RNA)
where:
Base-Base interactions energy: -160.754
where: short stacking energy: -83.008
Base-Backbone interact. energy: -0.648
local terms energy: -127.834391
where:
bonds (distance) C4'-P energy: -31.517
bonds (distance) P-C4' energy: -30.233
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -13.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -190.114683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.114683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.114683 (E_RNA)
where:
Base-Base interactions energy: -82.462
where: short stacking energy: -65.480
Base-Backbone interact. energy: 0.777
local terms energy: -108.429540
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -38.090
flat angles C4'-P-C4' energy: -29.663
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -184.749935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.749935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.749935 (E_RNA)
where:
Base-Base interactions energy: -92.360
where: short stacking energy: -50.564
Base-Backbone interact. energy: -1.116
local terms energy: -91.273163
where:
bonds (distance) C4'-P energy: -30.773
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: 0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -172.341200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.341200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.341200 (E_RNA)
where:
Base-Base interactions energy: -60.899
where: short stacking energy: -53.606
Base-Backbone interact. energy: -1.599
local terms energy: -109.843557
where:
bonds (distance) C4'-P energy: -34.044
bonds (distance) P-C4' energy: -28.283
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -146.970184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.970184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.970184 (E_RNA)
where:
Base-Base interactions energy: -46.234
where: short stacking energy: -36.669
Base-Backbone interact. energy: -0.853
local terms energy: -99.883323
where:
bonds (distance) C4'-P energy: -30.427
bonds (distance) P-C4' energy: -30.444
flat angles C4'-P-C4' energy: -30.195
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: 4.698
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: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -571.780371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.780371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.780371 (E_RNA)
where:
Base-Base interactions energy: -386.915
where: short stacking energy: -165.023
Base-Backbone interact. energy: -0.346
local terms energy: -184.519332
where:
bonds (distance) C4'-P energy: -35.245
bonds (distance) P-C4' energy: -33.573
flat angles C4'-P-C4' energy: -36.132
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -55.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -543.039445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.039445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.039445 (E_RNA)
where:
Base-Base interactions energy: -378.793
where: short stacking energy: -138.047
Base-Backbone interact. energy: -1.171
local terms energy: -163.075052
where:
bonds (distance) C4'-P energy: -26.631
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -31.921
flat angles P-C4'-P energy: -24.780
tors. eta vs tors. theta energy: -45.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -500.687054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.687054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.687054 (E_RNA)
where:
Base-Base interactions energy: -332.742
where: short stacking energy: -139.169
Base-Backbone interact. energy: 0.185
local terms energy: -168.130685
where:
bonds (distance) C4'-P energy: -33.402
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -36.728
flat angles P-C4'-P energy: -28.686
tors. eta vs tors. theta energy: -38.779
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: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -521.742203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.742203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.742203 (E_RNA)
where:
Base-Base interactions energy: -346.605
where: short stacking energy: -158.798
Base-Backbone interact. energy: 2.337
local terms energy: -177.474190
where:
bonds (distance) C4'-P energy: -35.283
bonds (distance) P-C4' energy: -28.588
flat angles C4'-P-C4' energy: -32.720
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: -53.958
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: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -402.839638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.839638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.839638 (E_RNA)
where:
Base-Base interactions energy: -260.832
where: short stacking energy: -118.035
Base-Backbone interact. energy: -1.843
local terms energy: -140.165368
where:
bonds (distance) C4'-P energy: -32.472
bonds (distance) P-C4' energy: -30.871
flat angles C4'-P-C4' energy: -29.310
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -29.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -301.157940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.157940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.157940 (E_RNA)
where:
Base-Base interactions energy: -162.556
where: short stacking energy: -97.280
Base-Backbone interact. energy: -0.916
local terms energy: -137.686636
where:
bonds (distance) C4'-P energy: -36.002
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -34.162
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -189.267721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.267721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.267721 (E_RNA)
where:
Base-Base interactions energy: -70.120
where: short stacking energy: -67.384
Base-Backbone interact. energy: -0.211
local terms energy: -118.936574
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -37.262
flat angles C4'-P-C4' energy: -36.820
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -162.560325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.560325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.560325 (E_RNA)
where:
Base-Base interactions energy: -57.519
where: short stacking energy: -41.404
Base-Backbone interact. energy: -0.885
local terms energy: -104.156223
where:
bonds (distance) C4'-P energy: -32.032
bonds (distance) P-C4' energy: -31.617
flat angles C4'-P-C4' energy: -27.238
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: 1.475
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: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -173.290401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.290401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.290401 (E_RNA)
where:
Base-Base interactions energy: -73.577
where: short stacking energy: -56.218
Base-Backbone interact. energy: 0.607
local terms energy: -100.320413
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -33.336
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -156.863153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.863153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.863153 (E_RNA)
where:
Base-Base interactions energy: -47.950
where: short stacking energy: -35.140
Base-Backbone interact. energy: -0.922
local terms energy: -107.991810
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -33.232
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -21.708
tors. eta vs tors. theta energy: 0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -555.418327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.418327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.418327 (E_RNA)
where:
Base-Base interactions energy: -391.230
where: short stacking energy: -146.814
Base-Backbone interact. energy: 1.718
local terms energy: -165.906814
where:
bonds (distance) C4'-P energy: -33.467
bonds (distance) P-C4' energy: -33.110
flat angles C4'-P-C4' energy: -37.189
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -43.815
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: 420
Temperature: 0.950000
Total energy: -562.642282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.642282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.642282 (E_RNA)
where:
Base-Base interactions energy: -374.636
where: short stacking energy: -161.228
Base-Backbone interact. energy: -0.320
local terms energy: -187.686486
where:
bonds (distance) C4'-P energy: -31.362
bonds (distance) P-C4' energy: -39.346
flat angles C4'-P-C4' energy: -39.850
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -55.743
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: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -533.201544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.201544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.201544 (E_RNA)
where:
Base-Base interactions energy: -342.789
where: short stacking energy: -151.508
Base-Backbone interact. energy: -0.170
local terms energy: -190.242370
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -38.036
flat angles C4'-P-C4' energy: -38.054
flat angles P-C4'-P energy: -29.547
tors. eta vs tors. theta energy: -52.989
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: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -474.557382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.557382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.557382 (E_RNA)
where:
Base-Base interactions energy: -320.731
where: short stacking energy: -123.021
Base-Backbone interact. energy: 1.073
local terms energy: -154.899105
where:
bonds (distance) C4'-P energy: -33.099
bonds (distance) P-C4' energy: -32.619
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: -38.372
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: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -399.748620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.748620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.748620 (E_RNA)
where:
Base-Base interactions energy: -248.941
where: short stacking energy: -102.990
Base-Backbone interact. energy: -0.514
local terms energy: -150.293476
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -37.474
flat angles C4'-P-C4' energy: -33.137
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: -32.059
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: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -307.935540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.935540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.935540 (E_RNA)
where:
Base-Base interactions energy: -164.104
where: short stacking energy: -89.572
Base-Backbone interact. energy: -0.832
local terms energy: -142.999673
where:
bonds (distance) C4'-P energy: -30.753
bonds (distance) P-C4' energy: -35.276
flat angles C4'-P-C4' energy: -27.515
flat angles P-C4'-P energy: -17.391
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: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -212.851960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.851960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.851960 (E_RNA)
where:
Base-Base interactions energy: -89.599
where: short stacking energy: -72.556
Base-Backbone interact. energy: 1.199
local terms energy: -124.452000
where:
bonds (distance) C4'-P energy: -30.787
bonds (distance) P-C4' energy: -34.028
flat angles C4'-P-C4' energy: -32.877
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -167.620340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.620340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.620340 (E_RNA)
where:
Base-Base interactions energy: -52.361
where: short stacking energy: -45.935
Base-Backbone interact. energy: -0.408
local terms energy: -114.851549
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -35.184
flat angles C4'-P-C4' energy: -26.103
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -172.522664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.522664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.522664 (E_RNA)
where:
Base-Base interactions energy: -55.959
where: short stacking energy: -38.734
Base-Backbone interact. energy: -0.529
local terms energy: -116.034227
where:
bonds (distance) C4'-P energy: -40.636
bonds (distance) P-C4' energy: -27.039
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -22.330
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: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -149.028614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.028614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.028614 (E_RNA)
where:
Base-Base interactions energy: -58.758
where: short stacking energy: -45.945
Base-Backbone interact. energy: -1.018
local terms energy: -89.252645
where:
bonds (distance) C4'-P energy: -27.067
bonds (distance) P-C4' energy: -27.924
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -541.054907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.054907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.054907 (E_RNA)
where:
Base-Base interactions energy: -369.879
where: short stacking energy: -130.073
Base-Backbone interact. energy: -2.956
local terms energy: -168.219796
where:
bonds (distance) C4'-P energy: -33.181
bonds (distance) P-C4' energy: -36.310
flat angles C4'-P-C4' energy: -34.013
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -39.493
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: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -562.013435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.013435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.013435 (E_RNA)
where:
Base-Base interactions energy: -369.327
where: short stacking energy: -153.621
Base-Backbone interact. energy: -0.146
local terms energy: -192.540463
where:
bonds (distance) C4'-P energy: -35.945
bonds (distance) P-C4' energy: -35.541
flat angles C4'-P-C4' energy: -42.362
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: -52.041
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: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -523.707666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.707666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.707666 (E_RNA)
where:
Base-Base interactions energy: -335.516
where: short stacking energy: -155.338
Base-Backbone interact. energy: -0.071
local terms energy: -188.120261
where:
bonds (distance) C4'-P energy: -30.441
bonds (distance) P-C4' energy: -37.404
flat angles C4'-P-C4' energy: -39.736
flat angles P-C4'-P energy: -25.740
tors. eta vs tors. theta energy: -54.798
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: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -480.023809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.023809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.023809 (E_RNA)
where:
Base-Base interactions energy: -335.490
where: short stacking energy: -128.803
Base-Backbone interact. energy: -0.005
local terms energy: -144.528388
where:
bonds (distance) C4'-P energy: -32.814
bonds (distance) P-C4' energy: -31.247
flat angles C4'-P-C4' energy: -28.553
flat angles P-C4'-P energy: -18.838
tors. eta vs tors. theta energy: -33.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -423.026341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.026341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.026341 (E_RNA)
where:
Base-Base interactions energy: -269.573
where: short stacking energy: -122.085
Base-Backbone interact. energy: -0.009
local terms energy: -153.444973
where:
bonds (distance) C4'-P energy: -30.605
bonds (distance) P-C4' energy: -32.926
flat angles C4'-P-C4' energy: -34.506
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -38.105
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: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -320.594337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.594337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.594337 (E_RNA)
where:
Base-Base interactions energy: -179.782
where: short stacking energy: -82.001
Base-Backbone interact. energy: 3.820
local terms energy: -144.633039
where:
bonds (distance) C4'-P energy: -26.597
bonds (distance) P-C4' energy: -33.762
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -177.538769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.538769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.538769 (E_RNA)
where:
Base-Base interactions energy: -80.261
where: short stacking energy: -38.011
Base-Backbone interact. energy: 1.365
local terms energy: -98.642602
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -36.064
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: 7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -150.007055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.007055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.007055 (E_RNA)
where:
Base-Base interactions energy: -53.829
where: short stacking energy: -43.304
Base-Backbone interact. energy: -0.922
local terms energy: -95.255555
where:
bonds (distance) C4'-P energy: -25.143
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -28.785
flat angles P-C4'-P energy: -15.465
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: 9, replica: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -153.532098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.532098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.532098 (E_RNA)
where:
Base-Base interactions energy: -47.949
where: short stacking energy: -46.509
Base-Backbone interact. energy: -0.850
local terms energy: -104.732754
where:
bonds (distance) C4'-P energy: -37.577
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: 0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -145.824002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.824002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.824002 (E_RNA)
where:
Base-Base interactions energy: -56.935
where: short stacking energy: -38.120
Base-Backbone interact. energy: 0.318
local terms energy: -89.206584
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -25.242
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -562.276611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.276611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.276611 (E_RNA)
where:
Base-Base interactions energy: -384.983
where: short stacking energy: -166.907
Base-Backbone interact. energy: -0.196
local terms energy: -177.097719
where:
bonds (distance) C4'-P energy: -32.796
bonds (distance) P-C4' energy: -31.405
flat angles C4'-P-C4' energy: -36.982
flat angles P-C4'-P energy: -23.420
tors. eta vs tors. theta energy: -52.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -519.351005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.351005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.351005 (E_RNA)
where:
Base-Base interactions energy: -356.051
where: short stacking energy: -132.547
Base-Backbone interact. energy: 3.274
local terms energy: -166.574576
where:
bonds (distance) C4'-P energy: -27.453
bonds (distance) P-C4' energy: -36.576
flat angles C4'-P-C4' energy: -38.356
flat angles P-C4'-P energy: -24.199
tors. eta vs tors. theta energy: -39.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -525.866828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.866828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.866828 (E_RNA)
where:
Base-Base interactions energy: -334.971
where: short stacking energy: -157.524
Base-Backbone interact. energy: -0.098
local terms energy: -190.797658
where:
bonds (distance) C4'-P energy: -33.771
bonds (distance) P-C4' energy: -32.640
flat angles C4'-P-C4' energy: -38.105
flat angles P-C4'-P energy: -28.164
tors. eta vs tors. theta energy: -58.118
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: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -483.701217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.701217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.701217 (E_RNA)
where:
Base-Base interactions energy: -323.820
where: short stacking energy: -119.894
Base-Backbone interact. energy: -2.024
local terms energy: -157.856975
where:
bonds (distance) C4'-P energy: -30.224
bonds (distance) P-C4' energy: -38.601
flat angles C4'-P-C4' energy: -34.382
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -31.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -396.776258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.776258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.776258 (E_RNA)
where:
Base-Base interactions energy: -252.059
where: short stacking energy: -106.960
Base-Backbone interact. energy: -1.001
local terms energy: -143.716416
where:
bonds (distance) C4'-P energy: -28.900
bonds (distance) P-C4' energy: -28.328
flat angles C4'-P-C4' energy: -38.024
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -25.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -296.713590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.713590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.713590 (E_RNA)
where:
Base-Base interactions energy: -171.603
where: short stacking energy: -87.954
Base-Backbone interact. energy: -0.311
local terms energy: -124.799496
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -36.056
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -194.054978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.054978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.054978 (E_RNA)
where:
Base-Base interactions energy: -64.973
where: short stacking energy: -62.723
Base-Backbone interact. energy: 0.113
local terms energy: -129.195631
where:
bonds (distance) C4'-P energy: -31.767
bonds (distance) P-C4' energy: -38.712
flat angles C4'-P-C4' energy: -34.344
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -8.068
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: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -171.906230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.906230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.906230 (E_RNA)
where:
Base-Base interactions energy: -64.176
where: short stacking energy: -41.679
Base-Backbone interact. energy: -0.643
local terms energy: -107.087501
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -32.105
flat angles C4'-P-C4' energy: -28.601
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: 0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -168.901468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.901468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.901468 (E_RNA)
where:
Base-Base interactions energy: -52.377
where: short stacking energy: -51.159
Base-Backbone interact. energy: -0.968
local terms energy: -115.556291
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -37.520
flat angles C4'-P-C4' energy: -26.491
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -150.176240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.176240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.176240 (E_RNA)
where:
Base-Base interactions energy: -56.908
where: short stacking energy: -44.305
Base-Backbone interact. energy: -0.191
local terms energy: -93.077007
where:
bonds (distance) C4'-P energy: -24.903
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -24.987
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: 0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -567.017203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.017203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.017203 (E_RNA)
where:
Base-Base interactions energy: -377.210
where: short stacking energy: -146.769
Base-Backbone interact. energy: -0.051
local terms energy: -189.755956
where:
bonds (distance) C4'-P energy: -37.027
bonds (distance) P-C4' energy: -38.929
flat angles C4'-P-C4' energy: -35.435
flat angles P-C4'-P energy: -27.663
tors. eta vs tors. theta energy: -50.702
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: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -545.205961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.205961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.205961 (E_RNA)
where:
Base-Base interactions energy: -363.533
where: short stacking energy: -147.353
Base-Backbone interact. energy: -1.130
local terms energy: -180.542900
where:
bonds (distance) C4'-P energy: -37.944
bonds (distance) P-C4' energy: -36.494
flat angles C4'-P-C4' energy: -38.633
flat angles P-C4'-P energy: -24.075
tors. eta vs tors. theta energy: -43.397
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: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -504.867462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.867462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.867462 (E_RNA)
where:
Base-Base interactions energy: -319.473
where: short stacking energy: -137.646
Base-Backbone interact. energy: -0.466
local terms energy: -184.927944
where:
bonds (distance) C4'-P energy: -43.605
bonds (distance) P-C4' energy: -38.681
flat angles C4'-P-C4' energy: -33.368
flat angles P-C4'-P energy: -22.201
tors. eta vs tors. theta energy: -47.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -455.409855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.409855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.409855 (E_RNA)
where:
Base-Base interactions energy: -309.921
where: short stacking energy: -113.892
Base-Backbone interact. energy: -1.037
local terms energy: -144.452158
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -31.201
flat angles C4'-P-C4' energy: -33.628
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -27.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -417.208479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.208479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.208479 (E_RNA)
where:
Base-Base interactions energy: -260.183
where: short stacking energy: -114.419
Base-Backbone interact. energy: -2.140
local terms energy: -154.884934
where:
bonds (distance) C4'-P energy: -34.420
bonds (distance) P-C4' energy: -34.127
flat angles C4'-P-C4' energy: -39.934
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -29.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -304.997689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.997689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.997689 (E_RNA)
where:
Base-Base interactions energy: -170.360
where: short stacking energy: -86.947
Base-Backbone interact. energy: -0.555
local terms energy: -134.082916
where:
bonds (distance) C4'-P energy: -24.638
bonds (distance) P-C4' energy: -37.005
flat angles C4'-P-C4' energy: -33.401
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -190.305599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.305599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.305599 (E_RNA)
where:
Base-Base interactions energy: -77.334
where: short stacking energy: -55.768
Base-Backbone interact. energy: -0.476
local terms energy: -112.495409
where:
bonds (distance) C4'-P energy: -28.194
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -19.689
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: 6
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -161.047510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.047510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.047510 (E_RNA)
where:
Base-Base interactions energy: -55.364
where: short stacking energy: -35.687
Base-Backbone interact. energy: 5.638
local terms energy: -111.321441
where:
bonds (distance) C4'-P energy: -32.326
bonds (distance) P-C4' energy: -36.450
flat angles C4'-P-C4' energy: -27.770
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: 4.179
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: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -158.625635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.625635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.625635 (E_RNA)
where:
Base-Base interactions energy: -58.592
where: short stacking energy: -45.136
Base-Backbone interact. energy: 1.251
local terms energy: -101.285498
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -33.855
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -145.409729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.409729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.409729 (E_RNA)
where:
Base-Base interactions energy: -54.008
where: short stacking energy: -33.881
Base-Backbone interact. energy: 5.642
local terms energy: -97.043865
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -30.130
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -570.881538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.881538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.881538 (E_RNA)
where:
Base-Base interactions energy: -380.003
where: short stacking energy: -167.638
Base-Backbone interact. energy: -0.119
local terms energy: -190.760301
where:
bonds (distance) C4'-P energy: -33.656
bonds (distance) P-C4' energy: -41.816
flat angles C4'-P-C4' energy: -34.288
flat angles P-C4'-P energy: -25.437
tors. eta vs tors. theta energy: -55.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -544.615249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.615249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.615249 (E_RNA)
where:
Base-Base interactions energy: -378.955
where: short stacking energy: -139.436
Base-Backbone interact. energy: -2.019
local terms energy: -163.640938
where:
bonds (distance) C4'-P energy: -35.779
bonds (distance) P-C4' energy: -30.399
flat angles C4'-P-C4' energy: -43.708
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -36.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -511.333065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.333065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.333065 (E_RNA)
where:
Base-Base interactions energy: -329.910
where: short stacking energy: -149.241
Base-Backbone interact. energy: -0.470
local terms energy: -180.952928
where:
bonds (distance) C4'-P energy: -28.547
bonds (distance) P-C4' energy: -36.356
flat angles C4'-P-C4' energy: -38.568
flat angles P-C4'-P energy: -28.094
tors. eta vs tors. theta energy: -49.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -493.645540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.645540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.645540 (E_RNA)
where:
Base-Base interactions energy: -333.647
where: short stacking energy: -124.638
Base-Backbone interact. energy: -2.003
local terms energy: -157.995997
where:
bonds (distance) C4'-P energy: -29.778
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: -42.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -413.502387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.502387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.502387 (E_RNA)
where:
Base-Base interactions energy: -251.899
where: short stacking energy: -106.989
Base-Backbone interact. energy: -0.176
local terms energy: -161.427378
where:
bonds (distance) C4'-P energy: -35.459
bonds (distance) P-C4' energy: -37.443
flat angles C4'-P-C4' energy: -40.535
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -25.814
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: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -310.410274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.410274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.410274 (E_RNA)
where:
Base-Base interactions energy: -169.781
where: short stacking energy: -97.071
Base-Backbone interact. energy: -2.183
local terms energy: -138.446293
where:
bonds (distance) C4'-P energy: -32.312
bonds (distance) P-C4' energy: -29.307
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -18.370
tors. eta vs tors. theta energy: -31.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -200.868659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.868659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.868659 (E_RNA)
where:
Base-Base interactions energy: -87.438
where: short stacking energy: -51.577
Base-Backbone interact. energy: -0.803
local terms energy: -112.626959
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -31.069
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -174.734698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.734698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.734698 (E_RNA)
where:
Base-Base interactions energy: -68.433
where: short stacking energy: -52.525
Base-Backbone interact. energy: 0.309
local terms energy: -106.611462
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -29.708
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -23.073
tors. eta vs tors. theta energy: 0.320
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: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -159.641637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.641637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.641637 (E_RNA)
where:
Base-Base interactions energy: -45.134
where: short stacking energy: -43.583
Base-Backbone interact. energy: 0.316
local terms energy: -114.823610
where:
bonds (distance) C4'-P energy: -35.264
bonds (distance) P-C4' energy: -36.150
flat angles C4'-P-C4' energy: -25.998
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -4.076
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: 424
Temperature: 1.350000
Total energy: -155.304307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.304307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.304307 (E_RNA)
where:
Base-Base interactions energy: -52.099
where: short stacking energy: -44.564
Base-Backbone interact. energy: -0.854
local terms energy: -102.351649
where:
bonds (distance) C4'-P energy: -30.186
bonds (distance) P-C4' energy: -33.182
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: 4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -581.029847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.029847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.029847 (E_RNA)
where:
Base-Base interactions energy: -389.812
where: short stacking energy: -159.646
Base-Backbone interact. energy: -0.509
local terms energy: -190.708456
where:
bonds (distance) C4'-P energy: -31.921
bonds (distance) P-C4' energy: -37.912
flat angles C4'-P-C4' energy: -42.783
flat angles P-C4'-P energy: -25.243
tors. eta vs tors. theta energy: -52.849
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: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -513.009992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.009992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.009992 (E_RNA)
where:
Base-Base interactions energy: -341.850
where: short stacking energy: -150.840
Base-Backbone interact. energy: -0.124
local terms energy: -171.035874
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -27.323
flat angles C4'-P-C4' energy: -39.152
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -46.948
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: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -522.743151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.743151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.743151 (E_RNA)
where:
Base-Base interactions energy: -374.410
where: short stacking energy: -136.206
Base-Backbone interact. energy: 0.394
local terms energy: -148.726795
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -30.982
flat angles C4'-P-C4' energy: -37.348
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -36.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -485.908926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.908926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.908926 (E_RNA)
where:
Base-Base interactions energy: -316.204
where: short stacking energy: -144.631
Base-Backbone interact. energy: -1.024
local terms energy: -168.681006
where:
bonds (distance) C4'-P energy: -30.578
bonds (distance) P-C4' energy: -34.945
flat angles C4'-P-C4' energy: -36.478
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -46.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -407.506982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.506982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.506982 (E_RNA)
where:
Base-Base interactions energy: -265.884
where: short stacking energy: -115.561
Base-Backbone interact. energy: -0.277
local terms energy: -141.345683
where:
bonds (distance) C4'-P energy: -25.891
bonds (distance) P-C4' energy: -30.095
flat angles C4'-P-C4' energy: -31.800
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -27.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -295.718551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.718551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.718551 (E_RNA)
where:
Base-Base interactions energy: -162.514
where: short stacking energy: -93.253
Base-Backbone interact. energy: -0.244
local terms energy: -132.961026
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -37.032
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -20.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -184.996787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.996787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.996787 (E_RNA)
where:
Base-Base interactions energy: -86.081
where: short stacking energy: -63.353
Base-Backbone interact. energy: -0.677
local terms energy: -98.239100
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -30.258
flat angles C4'-P-C4' energy: -26.001
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -170.246297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.246297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.246297 (E_RNA)
where:
Base-Base interactions energy: -70.168
where: short stacking energy: -56.024
Base-Backbone interact. energy: -0.641
local terms energy: -99.437561
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -37.094
flat angles C4'-P-C4' energy: -27.231
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: 2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -152.410826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.410826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.410826 (E_RNA)
where:
Base-Base interactions energy: -44.300
where: short stacking energy: -43.028
Base-Backbone interact. energy: -0.492
local terms energy: -107.618945
where:
bonds (distance) C4'-P energy: -29.406
bonds (distance) P-C4' energy: -34.884
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -148.167485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.167485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.167485 (E_RNA)
where:
Base-Base interactions energy: -53.065
where: short stacking energy: -44.970
Base-Backbone interact. energy: 0.155
local terms energy: -95.257220
where:
bonds (distance) C4'-P energy: -36.111
bonds (distance) P-C4' energy: -25.896
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: 5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -562.603768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.603768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.603768 (E_RNA)
where:
Base-Base interactions energy: -379.176
where: short stacking energy: -154.744
Base-Backbone interact. energy: 0.752
local terms energy: -184.179282
where:
bonds (distance) C4'-P energy: -38.325
bonds (distance) P-C4' energy: -30.324
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -28.133
tors. eta vs tors. theta energy: -50.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -522.271411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.271411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.271411 (E_RNA)
where:
Base-Base interactions energy: -343.870
where: short stacking energy: -146.324
Base-Backbone interact. energy: -0.264
local terms energy: -178.137744
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -36.045
flat angles C4'-P-C4' energy: -39.617
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -47.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -529.999523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.999523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.999523 (E_RNA)
where:
Base-Base interactions energy: -364.215
where: short stacking energy: -135.533
Base-Backbone interact. energy: -0.824
local terms energy: -164.960309
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -28.416
flat angles C4'-P-C4' energy: -38.146
flat angles P-C4'-P energy: -29.159
tors. eta vs tors. theta energy: -41.844
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: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -496.174519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.174519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.174519 (E_RNA)
where:
Base-Base interactions energy: -341.657
where: short stacking energy: -126.169
Base-Backbone interact. energy: -0.761
local terms energy: -153.756479
where:
bonds (distance) C4'-P energy: -33.348
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -40.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -451.800460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.800460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.800460 (E_RNA)
where:
Base-Base interactions energy: -297.475
where: short stacking energy: -130.196
Base-Backbone interact. energy: -0.285
local terms energy: -154.040248
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -32.602
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -38.470
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: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -299.921186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.921186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.921186 (E_RNA)
where:
Base-Base interactions energy: -157.872
where: short stacking energy: -90.984
Base-Backbone interact. energy: 1.239
local terms energy: -143.288028
where:
bonds (distance) C4'-P energy: -30.755
bonds (distance) P-C4' energy: -33.436
flat angles C4'-P-C4' energy: -36.997
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -22.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -183.355684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.355684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.355684 (E_RNA)
where:
Base-Base interactions energy: -66.883
where: short stacking energy: -64.055
Base-Backbone interact. energy: 1.299
local terms energy: -117.771764
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -30.932
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -11.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -178.325657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.325657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.325657 (E_RNA)
where:
Base-Base interactions energy: -71.458
where: short stacking energy: -39.505
Base-Backbone interact. energy: -0.131
local terms energy: -106.736500
where:
bonds (distance) C4'-P energy: -28.442
bonds (distance) P-C4' energy: -30.612
flat angles C4'-P-C4' energy: -31.950
flat angles P-C4'-P energy: -14.987
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: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -160.074992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.074992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.074992 (E_RNA)
where:
Base-Base interactions energy: -53.030
where: short stacking energy: -42.038
Base-Backbone interact. energy: -0.359
local terms energy: -106.685831
where:
bonds (distance) C4'-P energy: -26.290
bonds (distance) P-C4' energy: -34.295
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -18.819
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -156.027708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.027708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.027708 (E_RNA)
where:
Base-Base interactions energy: -51.073
where: short stacking energy: -33.703
Base-Backbone interact. energy: 1.210
local terms energy: -106.165180
where:
bonds (distance) C4'-P energy: -31.801
bonds (distance) P-C4' energy: -27.099
flat angles C4'-P-C4' energy: -37.772
flat angles P-C4'-P energy: -3.573
tors. eta vs tors. theta energy: -5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -563.206167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.206167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.206167 (E_RNA)
where:
Base-Base interactions energy: -390.141
where: short stacking energy: -152.248
Base-Backbone interact. energy: -0.085
local terms energy: -172.980183
where:
bonds (distance) C4'-P energy: -33.131
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -26.551
tors. eta vs tors. theta energy: -48.688
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: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -537.328090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.328090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.328090 (E_RNA)
where:
Base-Base interactions energy: -374.337
where: short stacking energy: -148.702
Base-Backbone interact. energy: -0.275
local terms energy: -162.716292
where:
bonds (distance) C4'-P energy: -28.704
bonds (distance) P-C4' energy: -36.344
flat angles C4'-P-C4' energy: -37.085
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -42.241
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: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -527.312871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.312871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.312871 (E_RNA)
where:
Base-Base interactions energy: -341.818
where: short stacking energy: -149.333
Base-Backbone interact. energy: -0.664
local terms energy: -184.831000
where:
bonds (distance) C4'-P energy: -31.721
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -38.131
flat angles P-C4'-P energy: -29.236
tors. eta vs tors. theta energy: -51.868
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: 10
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -476.430626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.430626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.430626 (E_RNA)
where:
Base-Base interactions energy: -311.819
where: short stacking energy: -146.280
Base-Backbone interact. energy: -0.246
local terms energy: -164.365353
where:
bonds (distance) C4'-P energy: -30.963
bonds (distance) P-C4' energy: -30.833
flat angles C4'-P-C4' energy: -31.697
flat angles P-C4'-P energy: -25.191
tors. eta vs tors. theta energy: -45.681
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: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -479.249487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.249487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.249487 (E_RNA)
where:
Base-Base interactions energy: -311.730
where: short stacking energy: -126.717
Base-Backbone interact. energy: -0.398
local terms energy: -167.121661
where:
bonds (distance) C4'-P energy: -34.438
bonds (distance) P-C4' energy: -33.203
flat angles C4'-P-C4' energy: -34.837
flat angles P-C4'-P energy: -26.979
tors. eta vs tors. theta energy: -37.665
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: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -287.299216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.299216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.299216 (E_RNA)
where:
Base-Base interactions energy: -167.984
where: short stacking energy: -81.959
Base-Backbone interact. energy: -1.691
local terms energy: -117.623921
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -36.580
flat angles C4'-P-C4' energy: -27.946
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -15.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -185.694612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.694612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.694612 (E_RNA)
where:
Base-Base interactions energy: -57.044
where: short stacking energy: -48.569
Base-Backbone interact. energy: -0.209
local terms energy: -128.441131
where:
bonds (distance) C4'-P energy: -37.150
bonds (distance) P-C4' energy: -37.829
flat angles C4'-P-C4' energy: -30.983
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -220.874668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.874668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.874668 (E_RNA)
where:
Base-Base interactions energy: -108.629
where: short stacking energy: -73.526
Base-Backbone interact. energy: -0.608
local terms energy: -111.637392
where:
bonds (distance) C4'-P energy: -31.454
bonds (distance) P-C4' energy: -27.848
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -154.619578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.619578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.619578 (E_RNA)
where:
Base-Base interactions energy: -52.314
where: short stacking energy: -31.355
Base-Backbone interact. energy: -0.634
local terms energy: -101.671526
where:
bonds (distance) C4'-P energy: -31.523
bonds (distance) P-C4' energy: -33.843
flat angles C4'-P-C4' energy: -28.283
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: 1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -142.650304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.650304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.650304 (E_RNA)
where:
Base-Base interactions energy: -42.589
where: short stacking energy: -38.495
Base-Backbone interact. energy: -0.213
local terms energy: -99.848247
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -34.236
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: 3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -552.707567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.707567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.707567 (E_RNA)
where:
Base-Base interactions energy: -376.422
where: short stacking energy: -151.882
Base-Backbone interact. energy: -0.171
local terms energy: -176.114746
where:
bonds (distance) C4'-P energy: -31.116
bonds (distance) P-C4' energy: -36.603
flat angles C4'-P-C4' energy: -36.089
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: -43.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -531.577893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.577893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.577893 (E_RNA)
where:
Base-Base interactions energy: -375.909
where: short stacking energy: -150.719
Base-Backbone interact. energy: 0.714
local terms energy: -156.383148
where:
bonds (distance) C4'-P energy: -31.849
bonds (distance) P-C4' energy: -31.167
flat angles C4'-P-C4' energy: -33.763
flat angles P-C4'-P energy: -18.966
tors. eta vs tors. theta energy: -40.637
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: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -528.335598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.335598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.335598 (E_RNA)
where:
Base-Base interactions energy: -352.970
where: short stacking energy: -168.103
Base-Backbone interact. energy: -0.010
local terms energy: -175.355617
where:
bonds (distance) C4'-P energy: -35.266
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -36.731
flat angles P-C4'-P energy: -24.989
tors. eta vs tors. theta energy: -55.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -435.214530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.214530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.214530 (E_RNA)
where:
Base-Base interactions energy: -283.596
where: short stacking energy: -126.874
Base-Backbone interact. energy: 0.163
local terms energy: -151.781627
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -30.749
flat angles C4'-P-C4' energy: -37.328
flat angles P-C4'-P energy: -23.971
tors. eta vs tors. theta energy: -36.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -500.191263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.191263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.191263 (E_RNA)
where:
Base-Base interactions energy: -337.506
where: short stacking energy: -140.382
Base-Backbone interact. energy: -0.431
local terms energy: -162.254468
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -26.151
flat angles C4'-P-C4' energy: -35.467
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: -47.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -308.624200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.624200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.624200 (E_RNA)
where:
Base-Base interactions energy: -185.365
where: short stacking energy: -77.389
Base-Backbone interact. energy: -2.238
local terms energy: -121.022014
where:
bonds (distance) C4'-P energy: -30.134
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -26.878
flat angles P-C4'-P energy: -19.661
tors. eta vs tors. theta energy: -15.340
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: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -191.852325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.852325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.852325 (E_RNA)
where:
Base-Base interactions energy: -66.789
where: short stacking energy: -58.211
Base-Backbone interact. energy: -1.067
local terms energy: -123.996295
where:
bonds (distance) C4'-P energy: -35.705
bonds (distance) P-C4' energy: -33.509
flat angles C4'-P-C4' energy: -25.802
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -12.015
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: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -168.054766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.054766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.054766 (E_RNA)
where:
Base-Base interactions energy: -69.780
where: short stacking energy: -38.876
Base-Backbone interact. energy: -0.740
local terms energy: -97.535268
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -31.910
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -22.413
tors. eta vs tors. theta energy: 8.721
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: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -166.709224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.709224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.709224 (E_RNA)
where:
Base-Base interactions energy: -51.274
where: short stacking energy: -49.038
Base-Backbone interact. energy: 1.032
local terms energy: -116.466940
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -27.107
flat angles P-C4'-P energy: -19.725
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -160.564055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.564055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.564055 (E_RNA)
where:
Base-Base interactions energy: -57.725
where: short stacking energy: -37.168
Base-Backbone interact. energy: 1.661
local terms energy: -104.499911
where:
bonds (distance) C4'-P energy: -28.327
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -546.388949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.388949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.388949 (E_RNA)
where:
Base-Base interactions energy: -363.488
where: short stacking energy: -162.358
Base-Backbone interact. energy: -0.016
local terms energy: -182.885002
where:
bonds (distance) C4'-P energy: -29.703
bonds (distance) P-C4' energy: -38.351
flat angles C4'-P-C4' energy: -38.452
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -52.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -543.952168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.952168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.952168 (E_RNA)
where:
Base-Base interactions energy: -386.450
where: short stacking energy: -148.152
Base-Backbone interact. energy: -0.513
local terms energy: -156.988495
where:
bonds (distance) C4'-P energy: -32.116
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -23.194
tors. eta vs tors. theta energy: -43.095
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: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -515.062681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.062681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.062681 (E_RNA)
where:
Base-Base interactions energy: -330.587
where: short stacking energy: -147.600
Base-Backbone interact. energy: -0.059
local terms energy: -184.416206
where:
bonds (distance) C4'-P energy: -35.580
bonds (distance) P-C4' energy: -31.198
flat angles C4'-P-C4' energy: -32.740
flat angles P-C4'-P energy: -27.977
tors. eta vs tors. theta energy: -56.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -508.378052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.378052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.378052 (E_RNA)
where:
Base-Base interactions energy: -344.093
where: short stacking energy: -131.434
Base-Backbone interact. energy: -0.370
local terms energy: -163.914593
where:
bonds (distance) C4'-P energy: -32.960
bonds (distance) P-C4' energy: -36.642
flat angles C4'-P-C4' energy: -33.832
flat angles P-C4'-P energy: -23.307
tors. eta vs tors. theta energy: -37.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -418.241187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.241187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.241187 (E_RNA)
where:
Base-Base interactions energy: -266.273
where: short stacking energy: -111.119
Base-Backbone interact. energy: -0.141
local terms energy: -151.827247
where:
bonds (distance) C4'-P energy: -35.760
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -23.538
flat angles P-C4'-P energy: -27.046
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: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -302.044431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.044431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.044431 (E_RNA)
where:
Base-Base interactions energy: -171.075
where: short stacking energy: -104.424
Base-Backbone interact. energy: -0.788
local terms energy: -130.180982
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -36.262
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -24.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -183.088575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.088575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.088575 (E_RNA)
where:
Base-Base interactions energy: -76.079
where: short stacking energy: -64.133
Base-Backbone interact. energy: 0.458
local terms energy: -107.468156
where:
bonds (distance) C4'-P energy: -32.227
bonds (distance) P-C4' energy: -35.582
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -168.602438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.602438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.602438 (E_RNA)
where:
Base-Base interactions energy: -55.631
where: short stacking energy: -52.801
Base-Backbone interact. energy: -0.206
local terms energy: -112.765111
where:
bonds (distance) C4'-P energy: -33.512
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -9.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -185.369194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.369194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.369194 (E_RNA)
where:
Base-Base interactions energy: -74.646
where: short stacking energy: -54.587
Base-Backbone interact. energy: 0.070
local terms energy: -110.793522
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -34.343
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -20.963
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: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -150.100561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.100561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.100561 (E_RNA)
where:
Base-Base interactions energy: -50.265
where: short stacking energy: -35.633
Base-Backbone interact. energy: -0.573
local terms energy: -99.262599
where:
bonds (distance) C4'-P energy: -23.091
bonds (distance) P-C4' energy: -33.894
flat angles C4'-P-C4' energy: -33.441
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: 1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -554.562128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.562128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.562128 (E_RNA)
where:
Base-Base interactions energy: -378.367
where: short stacking energy: -157.759
Base-Backbone interact. energy: -0.581
local terms energy: -175.614946
where:
bonds (distance) C4'-P energy: -33.648
bonds (distance) P-C4' energy: -38.667
flat angles C4'-P-C4' energy: -34.656
flat angles P-C4'-P energy: -29.348
tors. eta vs tors. theta energy: -39.295
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: 430
Temperature: 0.950000
Total energy: -556.294730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.294730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.294730 (E_RNA)
where:
Base-Base interactions energy: -376.146
where: short stacking energy: -150.721
Base-Backbone interact. energy: -0.115
local terms energy: -180.032825
where:
bonds (distance) C4'-P energy: -35.999
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -36.203
flat angles P-C4'-P energy: -27.689
tors. eta vs tors. theta energy: -45.065
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: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -533.658831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.658831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.658831 (E_RNA)
where:
Base-Base interactions energy: -360.397
where: short stacking energy: -121.228
Base-Backbone interact. energy: -2.329
local terms energy: -170.932656
where:
bonds (distance) C4'-P energy: -34.530
bonds (distance) P-C4' energy: -34.678
flat angles C4'-P-C4' energy: -42.336
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -39.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -522.013283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.013283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.013283 (E_RNA)
where:
Base-Base interactions energy: -344.932
where: short stacking energy: -155.739
Base-Backbone interact. energy: -0.379
local terms energy: -176.701838
where:
bonds (distance) C4'-P energy: -30.502
bonds (distance) P-C4' energy: -39.297
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -26.774
tors. eta vs tors. theta energy: -47.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -435.473645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.473645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.473645 (E_RNA)
where:
Base-Base interactions energy: -288.458
where: short stacking energy: -120.081
Base-Backbone interact. energy: -1.271
local terms energy: -145.744490
where:
bonds (distance) C4'-P energy: -28.207
bonds (distance) P-C4' energy: -31.529
flat angles C4'-P-C4' energy: -33.360
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: -30.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -317.343704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.343704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.343704 (E_RNA)
where:
Base-Base interactions energy: -181.608
where: short stacking energy: -95.229
Base-Backbone interact. energy: -0.782
local terms energy: -134.953762
where:
bonds (distance) C4'-P energy: -33.459
bonds (distance) P-C4' energy: -37.348
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -17.140
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: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -171.495900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.495900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.495900 (E_RNA)
where:
Base-Base interactions energy: -46.894
where: short stacking energy: -40.475
Base-Backbone interact. energy: 0.443
local terms energy: -125.045186
where:
bonds (distance) C4'-P energy: -29.450
bonds (distance) P-C4' energy: -36.525
flat angles C4'-P-C4' energy: -29.818
flat angles P-C4'-P energy: -21.956
tors. eta vs tors. theta energy: -7.296
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: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -162.609372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.609372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.609372 (E_RNA)
where:
Base-Base interactions energy: -62.938
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.593
local terms energy: -99.077989
where:
bonds (distance) C4'-P energy: -33.826
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -164.805813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.805813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.805813 (E_RNA)
where:
Base-Base interactions energy: -61.741
where: short stacking energy: -43.080
Base-Backbone interact. energy: -0.302
local terms energy: -102.763018
where:
bonds (distance) C4'-P energy: -30.548
bonds (distance) P-C4' energy: -32.205
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -148.035362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.035362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.035362 (E_RNA)
where:
Base-Base interactions energy: -44.598
where: short stacking energy: -40.640
Base-Backbone interact. energy: -0.224
local terms energy: -103.213642
where:
bonds (distance) C4'-P energy: -30.539
bonds (distance) P-C4' energy: -33.184
flat angles C4'-P-C4' energy: -24.816
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: 4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -550.015885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.015885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.015885 (E_RNA)
where:
Base-Base interactions energy: -366.913
where: short stacking energy: -162.270
Base-Backbone interact. energy: -0.457
local terms energy: -182.646082
where:
bonds (distance) C4'-P energy: -34.279
bonds (distance) P-C4' energy: -31.792
flat angles C4'-P-C4' energy: -38.737
flat angles P-C4'-P energy: -27.923
tors. eta vs tors. theta energy: -49.916
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: 431
Temperature: 0.950000
Total energy: -564.846530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.846530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.846530 (E_RNA)
where:
Base-Base interactions energy: -379.452
where: short stacking energy: -145.971
Base-Backbone interact. energy: -0.162
local terms energy: -185.231930
where:
bonds (distance) C4'-P energy: -34.750
bonds (distance) P-C4' energy: -34.272
flat angles C4'-P-C4' energy: -36.690
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -51.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -542.995529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.995529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.995529 (E_RNA)
where:
Base-Base interactions energy: -374.433
where: short stacking energy: -128.665
Base-Backbone interact. energy: -2.245
local terms energy: -166.317132
where:
bonds (distance) C4'-P energy: -33.821
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -40.936
flat angles P-C4'-P energy: -26.739
tors. eta vs tors. theta energy: -45.615
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: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -520.539432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.539432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.539432 (E_RNA)
where:
Base-Base interactions energy: -341.844
where: short stacking energy: -166.824
Base-Backbone interact. energy: -0.657
local terms energy: -178.038386
where:
bonds (distance) C4'-P energy: -35.139
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -36.485
flat angles P-C4'-P energy: -32.247
tors. eta vs tors. theta energy: -52.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -449.697977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.697977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.697977 (E_RNA)
where:
Base-Base interactions energy: -298.897
where: short stacking energy: -126.133
Base-Backbone interact. energy: -0.526
local terms energy: -150.274692
where:
bonds (distance) C4'-P energy: -28.350
bonds (distance) P-C4' energy: -36.046
flat angles C4'-P-C4' energy: -36.825
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -36.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -288.530664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.530664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.530664 (E_RNA)
where:
Base-Base interactions energy: -167.920
where: short stacking energy: -89.048
Base-Backbone interact. energy: -1.034
local terms energy: -119.576845
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -30.328
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -23.463
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -183.247837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.247837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.247837 (E_RNA)
where:
Base-Base interactions energy: -62.413
where: short stacking energy: -59.340
Base-Backbone interact. energy: -0.212
local terms energy: -120.622676
where:
bonds (distance) C4'-P energy: -34.012
bonds (distance) P-C4' energy: -27.638
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -210.707339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.707339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.707339 (E_RNA)
where:
Base-Base interactions energy: -100.761
where: short stacking energy: -43.223
Base-Backbone interact. energy: 0.345
local terms energy: -110.291462
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -30.425
flat angles C4'-P-C4' energy: -33.267
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -160.787082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.787082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.787082 (E_RNA)
where:
Base-Base interactions energy: -62.223
where: short stacking energy: -50.580
Base-Backbone interact. energy: 0.790
local terms energy: -99.354670
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -32.856
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -23.253
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -169.671269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.671269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.671269 (E_RNA)
where:
Base-Base interactions energy: -75.779
where: short stacking energy: -48.132
Base-Backbone interact. energy: 0.208
local terms energy: -94.100674
where:
bonds (distance) C4'-P energy: -33.510
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -560.978929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.978929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.978929 (E_RNA)
where:
Base-Base interactions energy: -372.857
where: short stacking energy: -158.599
Base-Backbone interact. energy: -0.144
local terms energy: -187.977456
where:
bonds (distance) C4'-P energy: -37.943
bonds (distance) P-C4' energy: -34.651
flat angles C4'-P-C4' energy: -37.030
flat angles P-C4'-P energy: -23.113
tors. eta vs tors. theta energy: -55.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -536.248523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.248523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.248523 (E_RNA)
where:
Base-Base interactions energy: -362.433
where: short stacking energy: -152.597
Base-Backbone interact. energy: -0.797
local terms energy: -173.019174
where:
bonds (distance) C4'-P energy: -40.631
bonds (distance) P-C4' energy: -34.871
flat angles C4'-P-C4' energy: -37.377
flat angles P-C4'-P energy: -17.191
tors. eta vs tors. theta energy: -42.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -527.419310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.419310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.419310 (E_RNA)
where:
Base-Base interactions energy: -364.945
where: short stacking energy: -133.275
Base-Backbone interact. energy: 3.734
local terms energy: -166.208309
where:
bonds (distance) C4'-P energy: -38.692
bonds (distance) P-C4' energy: -29.927
flat angles C4'-P-C4' energy: -32.824
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -40.450
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: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -489.932705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.932705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.932705 (E_RNA)
where:
Base-Base interactions energy: -312.868
where: short stacking energy: -151.627
Base-Backbone interact. energy: 0.064
local terms energy: -177.128952
where:
bonds (distance) C4'-P energy: -27.837
bonds (distance) P-C4' energy: -36.963
flat angles C4'-P-C4' energy: -35.004
flat angles P-C4'-P energy: -27.378
tors. eta vs tors. theta energy: -49.946
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: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -446.950140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.950140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.950140 (E_RNA)
where:
Base-Base interactions energy: -286.781
where: short stacking energy: -123.877
Base-Backbone interact. energy: 0.539
local terms energy: -160.708076
where:
bonds (distance) C4'-P energy: -26.347
bonds (distance) P-C4' energy: -34.080
flat angles C4'-P-C4' energy: -38.584
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: -37.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -306.867139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.867139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.867139 (E_RNA)
where:
Base-Base interactions energy: -187.857
where: short stacking energy: -86.879
Base-Backbone interact. energy: -0.685
local terms energy: -118.325134
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -27.758
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -178.740226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.740226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.740226 (E_RNA)
where:
Base-Base interactions energy: -65.915
where: short stacking energy: -53.119
Base-Backbone interact. energy: -0.918
local terms energy: -111.906974
where:
bonds (distance) C4'-P energy: -24.937
bonds (distance) P-C4' energy: -27.150
flat angles C4'-P-C4' energy: -32.772
flat angles P-C4'-P energy: -19.717
tors. eta vs tors. theta energy: -7.331
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: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -204.090111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.090111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.090111 (E_RNA)
where:
Base-Base interactions energy: -91.686
where: short stacking energy: -58.323
Base-Backbone interact. energy: 1.115
local terms energy: -113.518672
where:
bonds (distance) C4'-P energy: -35.098
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -29.255
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -149.683709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.683709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.683709 (E_RNA)
where:
Base-Base interactions energy: -60.873
where: short stacking energy: -31.901
Base-Backbone interact. energy: 1.945
local terms energy: -90.756201
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -36.598
flat angles C4'-P-C4' energy: -25.279
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: 9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -147.945572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.945572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.945572 (E_RNA)
where:
Base-Base interactions energy: -45.909
where: short stacking energy: -43.746
Base-Backbone interact. energy: 0.029
local terms energy: -102.064735
where:
bonds (distance) C4'-P energy: -30.215
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: 5.748
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: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -563.110507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.110507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.110507 (E_RNA)
where:
Base-Base interactions energy: -378.807
where: short stacking energy: -165.246
Base-Backbone interact. energy: -0.223
local terms energy: -184.080593
where:
bonds (distance) C4'-P energy: -34.582
bonds (distance) P-C4' energy: -37.516
flat angles C4'-P-C4' energy: -38.174
flat angles P-C4'-P energy: -22.866
tors. eta vs tors. theta energy: -50.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -544.093585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.093585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.093585 (E_RNA)
where:
Base-Base interactions energy: -377.217
where: short stacking energy: -152.839
Base-Backbone interact. energy: -2.036
local terms energy: -164.840820
where:
bonds (distance) C4'-P energy: -29.916
bonds (distance) P-C4' energy: -36.206
flat angles C4'-P-C4' energy: -33.291
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -42.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -503.711884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.711884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.711884 (E_RNA)
where:
Base-Base interactions energy: -338.372
where: short stacking energy: -137.087
Base-Backbone interact. energy: 0.209
local terms energy: -165.549078
where:
bonds (distance) C4'-P energy: -33.858
bonds (distance) P-C4' energy: -35.100
flat angles C4'-P-C4' energy: -32.055
flat angles P-C4'-P energy: -23.847
tors. eta vs tors. theta energy: -40.690
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: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -482.505263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.505263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.505263 (E_RNA)
where:
Base-Base interactions energy: -304.271
where: short stacking energy: -148.338
Base-Backbone interact. energy: -0.135
local terms energy: -178.098721
where:
bonds (distance) C4'-P energy: -29.983
bonds (distance) P-C4' energy: -36.327
flat angles C4'-P-C4' energy: -42.336
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -51.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -421.547281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.547281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.547281 (E_RNA)
where:
Base-Base interactions energy: -271.143
where: short stacking energy: -113.948
Base-Backbone interact. energy: -1.453
local terms energy: -148.950846
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -29.197
flat angles C4'-P-C4' energy: -35.766
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -28.376
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: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -387.688108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.688108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.688108 (E_RNA)
where:
Base-Base interactions energy: -247.095
where: short stacking energy: -109.547
Base-Backbone interact. energy: -0.081
local terms energy: -140.512705
where:
bonds (distance) C4'-P energy: -28.425
bonds (distance) P-C4' energy: -28.901
flat angles C4'-P-C4' energy: -30.582
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -35.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -193.080425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.080425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.080425 (E_RNA)
where:
Base-Base interactions energy: -88.185
where: short stacking energy: -62.686
Base-Backbone interact. energy: 0.570
local terms energy: -105.465468
where:
bonds (distance) C4'-P energy: -25.424
bonds (distance) P-C4' energy: -36.358
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -175.283305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.283305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.283305 (E_RNA)
where:
Base-Base interactions energy: -64.329
where: short stacking energy: -36.891
Base-Backbone interact. energy: 1.287
local terms energy: -112.240937
where:
bonds (distance) C4'-P energy: -33.829
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: 3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -166.983302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.983302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.983302 (E_RNA)
where:
Base-Base interactions energy: -67.123
where: short stacking energy: -65.415
Base-Backbone interact. energy: 0.162
local terms energy: -100.022752
where:
bonds (distance) C4'-P energy: -37.349
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -13.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -148.614131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.614131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.614131 (E_RNA)
where:
Base-Base interactions energy: -45.798
where: short stacking energy: -28.160
Base-Backbone interact. energy: 1.259
local terms energy: -104.075611
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -28.706
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: 1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -561.287262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.287262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.287262 (E_RNA)
where:
Base-Base interactions energy: -379.665
where: short stacking energy: -152.814
Base-Backbone interact. energy: -0.045
local terms energy: -181.576844
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -39.823
flat angles C4'-P-C4' energy: -33.051
flat angles P-C4'-P energy: -25.116
tors. eta vs tors. theta energy: -51.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -531.845455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.845455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.845455 (E_RNA)
where:
Base-Base interactions energy: -364.203
where: short stacking energy: -129.741
Base-Backbone interact. energy: -1.255
local terms energy: -166.387458
where:
bonds (distance) C4'-P energy: -30.477
bonds (distance) P-C4' energy: -38.670
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -23.938
tors. eta vs tors. theta energy: -42.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -512.686958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.686958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.686958 (E_RNA)
where:
Base-Base interactions energy: -347.974
where: short stacking energy: -151.110
Base-Backbone interact. energy: -1.260
local terms energy: -163.452083
where:
bonds (distance) C4'-P energy: -31.491
bonds (distance) P-C4' energy: -30.370
flat angles C4'-P-C4' energy: -37.869
flat angles P-C4'-P energy: -23.425
tors. eta vs tors. theta energy: -40.298
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: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -509.810879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.810879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.810879 (E_RNA)
where:
Base-Base interactions energy: -331.724
where: short stacking energy: -153.039
Base-Backbone interact. energy: -0.107
local terms energy: -177.980069
where:
bonds (distance) C4'-P energy: -34.696
bonds (distance) P-C4' energy: -31.393
flat angles C4'-P-C4' energy: -36.829
flat angles P-C4'-P energy: -25.094
tors. eta vs tors. theta energy: -49.968
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: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -377.915211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.915211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.915211 (E_RNA)
where:
Base-Base interactions energy: -237.094
where: short stacking energy: -104.422
Base-Backbone interact. energy: -0.735
local terms energy: -140.085835
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -30.761
flat angles P-C4'-P energy: -26.553
tors. eta vs tors. theta energy: -30.814
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: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -375.701819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.701819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.701819 (E_RNA)
where:
Base-Base interactions energy: -254.490
where: short stacking energy: -97.711
Base-Backbone interact. energy: 4.220
local terms energy: -125.432346
where:
bonds (distance) C4'-P energy: -32.237
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -203.917217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.917217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.917217 (E_RNA)
where:
Base-Base interactions energy: -85.328
where: short stacking energy: -44.387
Base-Backbone interact. energy: -1.197
local terms energy: -117.391748
where:
bonds (distance) C4'-P energy: -32.748
bonds (distance) P-C4' energy: -34.833
flat angles C4'-P-C4' energy: -36.252
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: 0.688
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: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -165.043723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.043723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.043723 (E_RNA)
where:
Base-Base interactions energy: -56.722
where: short stacking energy: -45.066
Base-Backbone interact. energy: 2.695
local terms energy: -111.016227
where:
bonds (distance) C4'-P energy: -27.917
bonds (distance) P-C4' energy: -35.334
flat angles C4'-P-C4' energy: -32.943
flat angles P-C4'-P energy: -13.345
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: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -156.146603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.146603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.146603 (E_RNA)
where:
Base-Base interactions energy: -59.963
where: short stacking energy: -43.952
Base-Backbone interact. energy: 0.084
local terms energy: -96.267227
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -36.161
flat angles C4'-P-C4' energy: -28.990
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -1.660
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: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -161.088145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.088145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.088145 (E_RNA)
where:
Base-Base interactions energy: -59.443
where: short stacking energy: -38.873
Base-Backbone interact. energy: 2.541
local terms energy: -104.185799
where:
bonds (distance) C4'-P energy: -36.292
bonds (distance) P-C4' energy: -28.405
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -563.876221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.876221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.876221 (E_RNA)
where:
Base-Base interactions energy: -383.684
where: short stacking energy: -154.849
Base-Backbone interact. energy: -0.349
local terms energy: -179.843043
where:
bonds (distance) C4'-P energy: -33.865
bonds (distance) P-C4' energy: -34.532
flat angles C4'-P-C4' energy: -37.560
flat angles P-C4'-P energy: -20.215
tors. eta vs tors. theta energy: -53.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -553.725650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.725650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.725650 (E_RNA)
where:
Base-Base interactions energy: -381.960
where: short stacking energy: -138.086
Base-Backbone interact. energy: -1.707
local terms energy: -170.058814
where:
bonds (distance) C4'-P energy: -34.044
bonds (distance) P-C4' energy: -32.775
flat angles C4'-P-C4' energy: -42.217
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -43.876
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: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -504.988820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.988820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.988820 (E_RNA)
where:
Base-Base interactions energy: -343.576
where: short stacking energy: -152.109
Base-Backbone interact. energy: -1.332
local terms energy: -160.080651
where:
bonds (distance) C4'-P energy: -35.722
bonds (distance) P-C4' energy: -26.751
flat angles C4'-P-C4' energy: -38.361
flat angles P-C4'-P energy: -19.701
tors. eta vs tors. theta energy: -39.546
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: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -496.639093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.639093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.639093 (E_RNA)
where:
Base-Base interactions energy: -314.984
where: short stacking energy: -123.185
Base-Backbone interact. energy: -0.082
local terms energy: -181.573129
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -33.268
flat angles C4'-P-C4' energy: -37.004
flat angles P-C4'-P energy: -31.365
tors. eta vs tors. theta energy: -46.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -393.239301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.239301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.239301 (E_RNA)
where:
Base-Base interactions energy: -236.757
where: short stacking energy: -115.708
Base-Backbone interact. energy: 0.850
local terms energy: -157.332706
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -26.535
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -37.426
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: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -397.848513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.848513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.848513 (E_RNA)
where:
Base-Base interactions energy: -253.744
where: short stacking energy: -101.797
Base-Backbone interact. energy: -1.900
local terms energy: -142.203915
where:
bonds (distance) C4'-P energy: -28.727
bonds (distance) P-C4' energy: -36.518
flat angles C4'-P-C4' energy: -32.333
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -222.186594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.186594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.186594 (E_RNA)
where:
Base-Base interactions energy: -109.250
where: short stacking energy: -70.248
Base-Backbone interact. energy: -1.895
local terms energy: -111.041593
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -33.527
flat angles P-C4'-P energy: -20.769
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -167.372627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.372627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.372627 (E_RNA)
where:
Base-Base interactions energy: -47.855
where: short stacking energy: -43.327
Base-Backbone interact. energy: -0.434
local terms energy: -119.083274
where:
bonds (distance) C4'-P energy: -32.595
bonds (distance) P-C4' energy: -30.896
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -18.161
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: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -157.318738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.318738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.318738 (E_RNA)
where:
Base-Base interactions energy: -60.970
where: short stacking energy: -43.926
Base-Backbone interact. energy: -0.486
local terms energy: -95.862653
where:
bonds (distance) C4'-P energy: -24.413
bonds (distance) P-C4' energy: -32.013
flat angles C4'-P-C4' energy: -32.524
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: 6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -142.058075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.058075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.058075 (E_RNA)
where:
Base-Base interactions energy: -41.426
where: short stacking energy: -28.618
Base-Backbone interact. energy: 3.462
local terms energy: -104.094116
where:
bonds (distance) C4'-P energy: -29.875
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -19.634
tors. eta vs tors. theta energy: 5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -556.922321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.922321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.922321 (E_RNA)
where:
Base-Base interactions energy: -366.271
where: short stacking energy: -157.158
Base-Backbone interact. energy: -0.199
local terms energy: -190.452273
where:
bonds (distance) C4'-P energy: -33.166
bonds (distance) P-C4' energy: -38.366
flat angles C4'-P-C4' energy: -37.200
flat angles P-C4'-P energy: -30.169
tors. eta vs tors. theta energy: -51.552
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: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -558.537705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.537705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.537705 (E_RNA)
where:
Base-Base interactions energy: -388.685
where: short stacking energy: -127.087
Base-Backbone interact. energy: -2.495
local terms energy: -167.357932
where:
bonds (distance) C4'-P energy: -32.207
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -35.383
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -37.762
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: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -499.042847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.042847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.042847 (E_RNA)
where:
Base-Base interactions energy: -329.230
where: short stacking energy: -132.221
Base-Backbone interact. energy: -0.472
local terms energy: -169.340578
where:
bonds (distance) C4'-P energy: -35.760
bonds (distance) P-C4' energy: -34.638
flat angles C4'-P-C4' energy: -32.363
flat angles P-C4'-P energy: -22.699
tors. eta vs tors. theta energy: -43.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -488.107683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.107683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.107683 (E_RNA)
where:
Base-Base interactions energy: -323.379
where: short stacking energy: -147.743
Base-Backbone interact. energy: -0.334
local terms energy: -164.394264
where:
bonds (distance) C4'-P energy: -33.102
bonds (distance) P-C4' energy: -34.949
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -49.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -421.575236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.575236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.575236 (E_RNA)
where:
Base-Base interactions energy: -280.659
where: short stacking energy: -112.976
Base-Backbone interact. energy: 1.803
local terms energy: -142.719758
where:
bonds (distance) C4'-P energy: -29.885
bonds (distance) P-C4' energy: -34.207
flat angles C4'-P-C4' energy: -33.020
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -28.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -400.016943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.016943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.016943 (E_RNA)
where:
Base-Base interactions energy: -252.216
where: short stacking energy: -108.586
Base-Backbone interact. energy: -0.211
local terms energy: -147.590131
where:
bonds (distance) C4'-P energy: -24.650
bonds (distance) P-C4' energy: -33.171
flat angles C4'-P-C4' energy: -31.764
flat angles P-C4'-P energy: -24.101
tors. eta vs tors. theta energy: -33.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -187.247977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.247977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.247977 (E_RNA)
where:
Base-Base interactions energy: -64.293
where: short stacking energy: -48.653
Base-Backbone interact. energy: -0.635
local terms energy: -122.320316
where:
bonds (distance) C4'-P energy: -31.045
bonds (distance) P-C4' energy: -32.632
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -196.832782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.832782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.832782 (E_RNA)
where:
Base-Base interactions energy: -89.462
where: short stacking energy: -60.113
Base-Backbone interact. energy: -1.241
local terms energy: -106.129969
where:
bonds (distance) C4'-P energy: -31.753
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -159.015398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.015398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.015398 (E_RNA)
where:
Base-Base interactions energy: -35.466
where: short stacking energy: -27.357
Base-Backbone interact. energy: -0.316
local terms energy: -123.233307
where:
bonds (distance) C4'-P energy: -36.649
bonds (distance) P-C4' energy: -31.102
flat angles C4'-P-C4' energy: -29.038
flat angles P-C4'-P energy: -19.538
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -151.037713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.037713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.037713 (E_RNA)
where:
Base-Base interactions energy: -48.024
where: short stacking energy: -35.767
Base-Backbone interact. energy: -1.158
local terms energy: -101.854902
where:
bonds (distance) C4'-P energy: -28.178
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -29.480
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: 3.942
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: 437
Temperature: 0.900000
Total energy: -560.847472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.847472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.847472 (E_RNA)
where:
Base-Base interactions energy: -368.447
where: short stacking energy: -161.255
Base-Backbone interact. energy: -0.875
local terms energy: -191.525102
where:
bonds (distance) C4'-P energy: -34.706
bonds (distance) P-C4' energy: -40.659
flat angles C4'-P-C4' energy: -40.364
flat angles P-C4'-P energy: -25.748
tors. eta vs tors. theta energy: -50.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -545.053385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.053385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.053385 (E_RNA)
where:
Base-Base interactions energy: -402.709
where: short stacking energy: -147.497
Base-Backbone interact. energy: -1.383
local terms energy: -140.961824
where:
bonds (distance) C4'-P energy: -33.949
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -29.901
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -36.528
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: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -511.781880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.781880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.781880 (E_RNA)
where:
Base-Base interactions energy: -343.058
where: short stacking energy: -158.406
Base-Backbone interact. energy: -0.605
local terms energy: -168.118959
where:
bonds (distance) C4'-P energy: -35.063
bonds (distance) P-C4' energy: -32.610
flat angles C4'-P-C4' energy: -30.909
flat angles P-C4'-P energy: -26.840
tors. eta vs tors. theta energy: -42.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -493.219546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.219546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.219546 (E_RNA)
where:
Base-Base interactions energy: -325.233
where: short stacking energy: -141.728
Base-Backbone interact. energy: -0.970
local terms energy: -167.016460
where:
bonds (distance) C4'-P energy: -29.086
bonds (distance) P-C4' energy: -30.498
flat angles C4'-P-C4' energy: -38.187
flat angles P-C4'-P energy: -26.066
tors. eta vs tors. theta energy: -43.178
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: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -404.867073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.867073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.867073 (E_RNA)
where:
Base-Base interactions energy: -264.772
where: short stacking energy: -94.902
Base-Backbone interact. energy: 2.402
local terms energy: -142.496924
where:
bonds (distance) C4'-P energy: -23.615
bonds (distance) P-C4' energy: -33.249
flat angles C4'-P-C4' energy: -32.956
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: -27.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -362.197189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.197189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.197189 (E_RNA)
where:
Base-Base interactions energy: -225.735
where: short stacking energy: -116.124
Base-Backbone interact. energy: -0.156
local terms energy: -136.307066
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -36.134
flat angles C4'-P-C4' energy: -35.177
flat angles P-C4'-P energy: -19.710
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: 7, replica: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -183.452977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.452977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.452977 (E_RNA)
where:
Base-Base interactions energy: -63.706
where: short stacking energy: -56.074
Base-Backbone interact. energy: 2.787
local terms energy: -122.533278
where:
bonds (distance) C4'-P energy: -32.330
bonds (distance) P-C4' energy: -30.698
flat angles C4'-P-C4' energy: -35.922
flat angles P-C4'-P energy: -20.091
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -171.645464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.645464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.645464 (E_RNA)
where:
Base-Base interactions energy: -62.803
where: short stacking energy: -40.322
Base-Backbone interact. energy: -0.325
local terms energy: -108.517183
where:
bonds (distance) C4'-P energy: -31.550
bonds (distance) P-C4' energy: -40.481
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: 2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -162.542355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.542355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.542355 (E_RNA)
where:
Base-Base interactions energy: -68.754
where: short stacking energy: -44.740
Base-Backbone interact. energy: -1.644
local terms energy: -92.143933
where:
bonds (distance) C4'-P energy: -26.530
bonds (distance) P-C4' energy: -29.484
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: 5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -144.182333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.182333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.182333 (E_RNA)
where:
Base-Base interactions energy: -51.886
where: short stacking energy: -21.491
Base-Backbone interact. energy: 0.028
local terms energy: -92.324253
where:
bonds (distance) C4'-P energy: -36.879
bonds (distance) P-C4' energy: -29.346
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: 12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -576.469677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.469677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.469677 (E_RNA)
where:
Base-Base interactions energy: -390.075
where: short stacking energy: -167.262
Base-Backbone interact. energy: -0.081
local terms energy: -186.313735
where:
bonds (distance) C4'-P energy: -36.526
bonds (distance) P-C4' energy: -35.326
flat angles C4'-P-C4' energy: -40.699
flat angles P-C4'-P energy: -20.259
tors. eta vs tors. theta energy: -53.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -551.129404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.129404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.129404 (E_RNA)
where:
Base-Base interactions energy: -372.502
where: short stacking energy: -148.111
Base-Backbone interact. energy: -1.200
local terms energy: -177.427413
where:
bonds (distance) C4'-P energy: -35.613
bonds (distance) P-C4' energy: -35.576
flat angles C4'-P-C4' energy: -37.791
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -44.840
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: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -529.732367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.732367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.732367 (E_RNA)
where:
Base-Base interactions energy: -355.041
where: short stacking energy: -153.628
Base-Backbone interact. energy: -0.589
local terms energy: -174.102231
where:
bonds (distance) C4'-P energy: -31.735
bonds (distance) P-C4' energy: -36.142
flat angles C4'-P-C4' energy: -33.007
flat angles P-C4'-P energy: -27.022
tors. eta vs tors. theta energy: -46.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -499.039765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.039765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.039765 (E_RNA)
where:
Base-Base interactions energy: -336.086
where: short stacking energy: -141.645
Base-Backbone interact. energy: -0.643
local terms energy: -162.310638
where:
bonds (distance) C4'-P energy: -30.381
bonds (distance) P-C4' energy: -28.684
flat angles C4'-P-C4' energy: -34.618
flat angles P-C4'-P energy: -24.537
tors. eta vs tors. theta energy: -44.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -383.007133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.007133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.007133 (E_RNA)
where:
Base-Base interactions energy: -240.707
where: short stacking energy: -101.608
Base-Backbone interact. energy: -0.501
local terms energy: -141.799167
where:
bonds (distance) C4'-P energy: -25.987
bonds (distance) P-C4' energy: -36.913
flat angles C4'-P-C4' energy: -39.001
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -24.734
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: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -345.569837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.569837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.569837 (E_RNA)
where:
Base-Base interactions energy: -212.071
where: short stacking energy: -86.824
Base-Backbone interact. energy: -0.390
local terms energy: -133.109434
where:
bonds (distance) C4'-P energy: -30.735
bonds (distance) P-C4' energy: -29.323
flat angles C4'-P-C4' energy: -34.316
flat angles P-C4'-P energy: -17.099
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: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -202.898145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.898145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.898145 (E_RNA)
where:
Base-Base interactions energy: -95.132
where: short stacking energy: -59.252
Base-Backbone interact. energy: 3.002
local terms energy: -110.767896
where:
bonds (distance) C4'-P energy: -30.679
bonds (distance) P-C4' energy: -36.596
flat angles C4'-P-C4' energy: -28.006
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -168.955974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.955974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.955974 (E_RNA)
where:
Base-Base interactions energy: -59.581
where: short stacking energy: -45.802
Base-Backbone interact. energy: 0.803
local terms energy: -110.178491
where:
bonds (distance) C4'-P energy: -29.421
bonds (distance) P-C4' energy: -33.717
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -166.589699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.589699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.589699 (E_RNA)
where:
Base-Base interactions energy: -61.967
where: short stacking energy: -53.622
Base-Backbone interact. energy: 1.421
local terms energy: -106.043481
where:
bonds (distance) C4'-P energy: -36.027
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -161.698219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.698219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.698219 (E_RNA)
where:
Base-Base interactions energy: -62.276
where: short stacking energy: -49.698
Base-Backbone interact. energy: -0.240
local terms energy: -99.181699
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -23.212
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: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -556.074981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.074981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.074981 (E_RNA)
where:
Base-Base interactions energy: -362.093
where: short stacking energy: -160.625
Base-Backbone interact. energy: 0.417
local terms energy: -194.399180
where:
bonds (distance) C4'-P energy: -34.892
bonds (distance) P-C4' energy: -38.452
flat angles C4'-P-C4' energy: -42.444
flat angles P-C4'-P energy: -25.919
tors. eta vs tors. theta energy: -52.692
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: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -554.273370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.273370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.273370 (E_RNA)
where:
Base-Base interactions energy: -384.242
where: short stacking energy: -141.156
Base-Backbone interact. energy: -0.357
local terms energy: -169.674090
where:
bonds (distance) C4'-P energy: -35.685
bonds (distance) P-C4' energy: -31.992
flat angles C4'-P-C4' energy: -35.728
flat angles P-C4'-P energy: -23.039
tors. eta vs tors. theta energy: -43.231
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: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -513.822484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.822484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.822484 (E_RNA)
where:
Base-Base interactions energy: -346.245
where: short stacking energy: -158.434
Base-Backbone interact. energy: -0.579
local terms energy: -166.998000
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -39.742
flat angles P-C4'-P energy: -25.389
tors. eta vs tors. theta energy: -52.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -488.245148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.245148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.245148 (E_RNA)
where:
Base-Base interactions energy: -326.492
where: short stacking energy: -132.171
Base-Backbone interact. energy: -0.053
local terms energy: -161.699648
where:
bonds (distance) C4'-P energy: -35.621
bonds (distance) P-C4' energy: -31.912
flat angles C4'-P-C4' energy: -39.104
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -36.489
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: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -373.403471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.403471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.403471 (E_RNA)
where:
Base-Base interactions energy: -238.827
where: short stacking energy: -99.112
Base-Backbone interact. energy: -0.892
local terms energy: -133.684880
where:
bonds (distance) C4'-P energy: -26.126
bonds (distance) P-C4' energy: -31.999
flat angles C4'-P-C4' energy: -27.529
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -29.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -342.508176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.508176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.508176 (E_RNA)
where:
Base-Base interactions energy: -198.281
where: short stacking energy: -92.116
Base-Backbone interact. energy: -1.601
local terms energy: -142.626379
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -38.000
flat angles C4'-P-C4' energy: -26.679
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -32.326
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: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -182.960228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.960228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.960228 (E_RNA)
where:
Base-Base interactions energy: -71.786
where: short stacking energy: -33.395
Base-Backbone interact. energy: -1.016
local terms energy: -110.157918
where:
bonds (distance) C4'-P energy: -27.947
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -29.134
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: 4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -205.146689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.146689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.146689 (E_RNA)
where:
Base-Base interactions energy: -108.731
where: short stacking energy: -50.363
Base-Backbone interact. energy: -1.329
local terms energy: -95.086749
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -33.854
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: 2.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -158.425748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.425748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.425748 (E_RNA)
where:
Base-Base interactions energy: -56.195
where: short stacking energy: -46.608
Base-Backbone interact. energy: -1.487
local terms energy: -100.744156
where:
bonds (distance) C4'-P energy: -34.203
bonds (distance) P-C4' energy: -29.616
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: 1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -141.750444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.750444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.750444 (E_RNA)
where:
Base-Base interactions energy: -37.402
where: short stacking energy: -33.012
Base-Backbone interact. energy: -0.418
local terms energy: -103.930385
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -551.728396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.728396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.728396 (E_RNA)
where:
Base-Base interactions energy: -378.074
where: short stacking energy: -152.123
Base-Backbone interact. energy: 0.018
local terms energy: -173.673098
where:
bonds (distance) C4'-P energy: -31.330
bonds (distance) P-C4' energy: -36.109
flat angles C4'-P-C4' energy: -31.680
flat angles P-C4'-P energy: -29.173
tors. eta vs tors. theta energy: -45.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -550.766932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.766932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.766932 (E_RNA)
where:
Base-Base interactions energy: -364.857
where: short stacking energy: -150.052
Base-Backbone interact. energy: -0.114
local terms energy: -185.795663
where:
bonds (distance) C4'-P energy: -32.397
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -45.008
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -52.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -513.051566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.051566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.051566 (E_RNA)
where:
Base-Base interactions energy: -343.031
where: short stacking energy: -133.688
Base-Backbone interact. energy: -0.625
local terms energy: -169.395306
where:
bonds (distance) C4'-P energy: -31.951
bonds (distance) P-C4' energy: -33.653
flat angles C4'-P-C4' energy: -32.982
flat angles P-C4'-P energy: -26.115
tors. eta vs tors. theta energy: -44.694
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: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -493.685998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.685998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.685998 (E_RNA)
where:
Base-Base interactions energy: -340.651
where: short stacking energy: -132.658
Base-Backbone interact. energy: -1.131
local terms energy: -151.904554
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -37.998
flat angles P-C4'-P energy: -22.445
tors. eta vs tors. theta energy: -34.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -396.378342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.378342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.378342 (E_RNA)
where:
Base-Base interactions energy: -248.090
where: short stacking energy: -121.077
Base-Backbone interact. energy: -0.560
local terms energy: -147.728207
where:
bonds (distance) C4'-P energy: -28.476
bonds (distance) P-C4' energy: -31.619
flat angles C4'-P-C4' energy: -32.207
flat angles P-C4'-P energy: -22.825
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: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -348.980705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.980705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.980705 (E_RNA)
where:
Base-Base interactions energy: -213.368
where: short stacking energy: -96.272
Base-Backbone interact. energy: -0.510
local terms energy: -135.102441
where:
bonds (distance) C4'-P energy: -30.062
bonds (distance) P-C4' energy: -32.817
flat angles C4'-P-C4' energy: -34.605
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -21.957
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: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -185.400644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.400644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.400644 (E_RNA)
where:
Base-Base interactions energy: -81.319
where: short stacking energy: -65.202
Base-Backbone interact. energy: -0.860
local terms energy: -103.222038
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -33.286
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -14.124
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: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -216.507860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.507860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.507860 (E_RNA)
where:
Base-Base interactions energy: -100.837
where: short stacking energy: -69.905
Base-Backbone interact. energy: -1.462
local terms energy: -114.208825
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -33.620
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -25.679
tors. eta vs tors. theta energy: -9.787
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: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -174.467377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.467377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.467377 (E_RNA)
where:
Base-Base interactions energy: -72.207
where: short stacking energy: -51.352
Base-Backbone interact. energy: -0.110
local terms energy: -102.150500
where:
bonds (distance) C4'-P energy: -36.516
bonds (distance) P-C4' energy: -32.515
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -19.578
tors. eta vs tors. theta energy: 3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -146.366796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.366796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.366796 (E_RNA)
where:
Base-Base interactions energy: -50.475
where: short stacking energy: -38.355
Base-Backbone interact. energy: -0.836
local terms energy: -95.055678
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -33.076
flat angles C4'-P-C4' energy: -26.169
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: 2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -534.825506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.825506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.825506 (E_RNA)
where:
Base-Base interactions energy: -373.294
where: short stacking energy: -143.055
Base-Backbone interact. energy: -2.644
local terms energy: -158.888145
where:
bonds (distance) C4'-P energy: -29.142
bonds (distance) P-C4' energy: -31.821
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -38.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -542.004553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.004553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.004553 (E_RNA)
where:
Base-Base interactions energy: -361.918
where: short stacking energy: -150.240
Base-Backbone interact. energy: -0.066
local terms energy: -180.020690
where:
bonds (distance) C4'-P energy: -28.338
bonds (distance) P-C4' energy: -38.314
flat angles C4'-P-C4' energy: -38.473
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -54.459
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: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -503.827721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.827721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.827721 (E_RNA)
where:
Base-Base interactions energy: -324.470
where: short stacking energy: -132.768
Base-Backbone interact. energy: -0.241
local terms energy: -179.116787
where:
bonds (distance) C4'-P energy: -35.312
bonds (distance) P-C4' energy: -41.116
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -28.978
tors. eta vs tors. theta energy: -39.517
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: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -494.472559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.472559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.472559 (E_RNA)
where:
Base-Base interactions energy: -342.841
where: short stacking energy: -137.446
Base-Backbone interact. energy: -0.187
local terms energy: -151.444611
where:
bonds (distance) C4'-P energy: -35.760
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -35.132
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -37.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -383.215900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.215900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.215900 (E_RNA)
where:
Base-Base interactions energy: -221.515
where: short stacking energy: -105.751
Base-Backbone interact. energy: -1.935
local terms energy: -159.766490
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -38.198
flat angles P-C4'-P energy: -24.401
tors. eta vs tors. theta energy: -36.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -366.764004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.764004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.764004 (E_RNA)
where:
Base-Base interactions energy: -222.263
where: short stacking energy: -101.932
Base-Backbone interact. energy: -0.198
local terms energy: -144.302879
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -31.086
flat angles C4'-P-C4' energy: -34.527
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -26.740
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: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -179.090885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.090885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.090885 (E_RNA)
where:
Base-Base interactions energy: -62.649
where: short stacking energy: -44.388
Base-Backbone interact. energy: -0.764
local terms energy: -115.677689
where:
bonds (distance) C4'-P energy: -26.106
bonds (distance) P-C4' energy: -39.375
flat angles C4'-P-C4' energy: -36.984
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: 2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -198.056280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.056280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.056280 (E_RNA)
where:
Base-Base interactions energy: -96.675
where: short stacking energy: -44.807
Base-Backbone interact. energy: -1.030
local terms energy: -100.351700
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -30.787
flat angles C4'-P-C4' energy: -25.300
flat angles P-C4'-P energy: -18.643
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)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -184.129210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.129210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.129210 (E_RNA)
where:
Base-Base interactions energy: -69.608
where: short stacking energy: -57.977
Base-Backbone interact. energy: 0.471
local terms energy: -114.991811
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -148.353633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.353633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.353633 (E_RNA)
where:
Base-Base interactions energy: -55.113
where: short stacking energy: -36.348
Base-Backbone interact. energy: 1.306
local terms energy: -94.546330
where:
bonds (distance) C4'-P energy: -27.254
bonds (distance) P-C4' energy: -30.098
flat angles C4'-P-C4' energy: -26.238
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: 5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -565.750441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.750441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.750441 (E_RNA)
where:
Base-Base interactions energy: -386.663
where: short stacking energy: -165.292
Base-Backbone interact. energy: -0.679
local terms energy: -178.408799
where:
bonds (distance) C4'-P energy: -28.025
bonds (distance) P-C4' energy: -37.507
flat angles C4'-P-C4' energy: -32.933
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -56.838
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: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -546.176842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.176842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.176842 (E_RNA)
where:
Base-Base interactions energy: -384.077
where: short stacking energy: -143.258
Base-Backbone interact. energy: -0.807
local terms energy: -161.292325
where:
bonds (distance) C4'-P energy: -31.765
bonds (distance) P-C4' energy: -33.484
flat angles C4'-P-C4' energy: -33.033
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -43.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -511.588939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.588939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.588939 (E_RNA)
where:
Base-Base interactions energy: -342.485
where: short stacking energy: -145.602
Base-Backbone interact. energy: -0.679
local terms energy: -168.424616
where:
bonds (distance) C4'-P energy: -28.353
bonds (distance) P-C4' energy: -33.956
flat angles C4'-P-C4' energy: -41.455
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: -40.309
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: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -487.509511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.509511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.509511 (E_RNA)
where:
Base-Base interactions energy: -312.300
where: short stacking energy: -132.976
Base-Backbone interact. energy: 1.133
local terms energy: -176.342429
where:
bonds (distance) C4'-P energy: -34.032
bonds (distance) P-C4' energy: -32.400
flat angles C4'-P-C4' energy: -37.133
flat angles P-C4'-P energy: -30.610
tors. eta vs tors. theta energy: -42.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -413.180194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.180194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.180194 (E_RNA)
where:
Base-Base interactions energy: -261.981
where: short stacking energy: -127.754
Base-Backbone interact. energy: -0.385
local terms energy: -150.813261
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -31.620
flat angles C4'-P-C4' energy: -33.492
flat angles P-C4'-P energy: -20.703
tors. eta vs tors. theta energy: -35.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -367.871039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.871039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.871039 (E_RNA)
where:
Base-Base interactions energy: -215.412
where: short stacking energy: -96.913
Base-Backbone interact. energy: -0.699
local terms energy: -151.759367
where:
bonds (distance) C4'-P energy: -36.506
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -34.441
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -26.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -192.834838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.834838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.834838 (E_RNA)
where:
Base-Base interactions energy: -77.169
where: short stacking energy: -38.652
Base-Backbone interact. energy: -1.746
local terms energy: -113.919893
where:
bonds (distance) C4'-P energy: -27.268
bonds (distance) P-C4' energy: -33.803
flat angles C4'-P-C4' energy: -31.589
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -164.315491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.315491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.315491 (E_RNA)
where:
Base-Base interactions energy: -57.607
where: short stacking energy: -38.292
Base-Backbone interact. energy: 5.778
local terms energy: -112.486631
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -36.470
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -155.731132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.731132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.731132 (E_RNA)
where:
Base-Base interactions energy: -58.853
where: short stacking energy: -43.624
Base-Backbone interact. energy: 2.225
local terms energy: -99.102726
where:
bonds (distance) C4'-P energy: -33.393
bonds (distance) P-C4' energy: -28.435
flat angles C4'-P-C4' energy: -31.878
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: 3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -192.616131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.616131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.616131 (E_RNA)
where:
Base-Base interactions energy: -76.780
where: short stacking energy: -48.196
Base-Backbone interact. energy: -2.018
local terms energy: -113.818081
where:
bonds (distance) C4'-P energy: -33.932
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -28.085
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -564.295997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.295997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.295997 (E_RNA)
where:
Base-Base interactions energy: -387.761
where: short stacking energy: -163.323
Base-Backbone interact. energy: -0.334
local terms energy: -176.200513
where:
bonds (distance) C4'-P energy: -32.457
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -36.530
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: -57.077
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: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -546.908619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.908619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.908619 (E_RNA)
where:
Base-Base interactions energy: -378.442
where: short stacking energy: -136.012
Base-Backbone interact. energy: -2.074
local terms energy: -166.392032
where:
bonds (distance) C4'-P energy: -32.194
bonds (distance) P-C4' energy: -30.324
flat angles C4'-P-C4' energy: -34.469
flat angles P-C4'-P energy: -27.640
tors. eta vs tors. theta energy: -41.765
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: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -524.584607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.584607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.584607 (E_RNA)
where:
Base-Base interactions energy: -346.006
where: short stacking energy: -154.282
Base-Backbone interact. energy: 0.112
local terms energy: -178.689817
where:
bonds (distance) C4'-P energy: -35.579
bonds (distance) P-C4' energy: -35.453
flat angles C4'-P-C4' energy: -34.916
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -44.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -505.764146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.764146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.764146 (E_RNA)
where:
Base-Base interactions energy: -324.051
where: short stacking energy: -143.735
Base-Backbone interact. energy: -0.148
local terms energy: -181.565075
where:
bonds (distance) C4'-P energy: -35.018
bonds (distance) P-C4' energy: -34.562
flat angles C4'-P-C4' energy: -38.167
flat angles P-C4'-P energy: -20.594
tors. eta vs tors. theta energy: -53.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -405.565794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.565794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.565794 (E_RNA)
where:
Base-Base interactions energy: -247.294
where: short stacking energy: -120.494
Base-Backbone interact. energy: -1.588
local terms energy: -156.683401
where:
bonds (distance) C4'-P energy: -28.515
bonds (distance) P-C4' energy: -31.602
flat angles C4'-P-C4' energy: -32.931
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -46.412
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: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -381.291806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.291806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.291806 (E_RNA)
where:
Base-Base interactions energy: -226.625
where: short stacking energy: -101.579
Base-Backbone interact. energy: 1.118
local terms energy: -155.784772
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -31.244
flat angles C4'-P-C4' energy: -34.550
flat angles P-C4'-P energy: -24.905
tors. eta vs tors. theta energy: -27.882
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: 7, replica: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -185.795256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.795256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.795256 (E_RNA)
where:
Base-Base interactions energy: -72.582
where: short stacking energy: -46.718
Base-Backbone interact. energy: -0.437
local terms energy: -112.775739
where:
bonds (distance) C4'-P energy: -26.552
bonds (distance) P-C4' energy: -35.774
flat angles C4'-P-C4' energy: -25.193
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -5.372
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: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -174.861888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.861888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.861888 (E_RNA)
where:
Base-Base interactions energy: -61.728
where: short stacking energy: -51.549
Base-Backbone interact. energy: 0.440
local terms energy: -113.573029
where:
bonds (distance) C4'-P energy: -40.260
bonds (distance) P-C4' energy: -29.135
flat angles C4'-P-C4' energy: -26.845
flat angles P-C4'-P energy: -8.705
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: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -150.317585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.317585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.317585 (E_RNA)
where:
Base-Base interactions energy: -48.081
where: short stacking energy: -31.633
Base-Backbone interact. energy: -0.152
local terms energy: -102.085154
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -30.437
flat angles C4'-P-C4' energy: -27.734
flat angles P-C4'-P energy: -21.019
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: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -172.231161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.231161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.231161 (E_RNA)
where:
Base-Base interactions energy: -59.909
where: short stacking energy: -53.400
Base-Backbone interact. energy: 0.363
local terms energy: -112.685416
where:
bonds (distance) C4'-P energy: -34.768
bonds (distance) P-C4' energy: -37.512
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: 3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -551.930528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.930528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.930528 (E_RNA)
where:
Base-Base interactions energy: -383.828
where: short stacking energy: -141.182
Base-Backbone interact. energy: -2.348
local terms energy: -165.754627
where:
bonds (distance) C4'-P energy: -29.127
bonds (distance) P-C4' energy: -30.697
flat angles C4'-P-C4' energy: -34.506
flat angles P-C4'-P energy: -27.936
tors. eta vs tors. theta energy: -43.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -542.225953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.225953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.225953 (E_RNA)
where:
Base-Base interactions energy: -365.331
where: short stacking energy: -156.969
Base-Backbone interact. energy: -2.046
local terms energy: -174.849006
where:
bonds (distance) C4'-P energy: -32.185
bonds (distance) P-C4' energy: -31.778
flat angles C4'-P-C4' energy: -36.213
flat angles P-C4'-P energy: -24.312
tors. eta vs tors. theta energy: -50.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -521.445347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.445347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.445347 (E_RNA)
where:
Base-Base interactions energy: -342.918
where: short stacking energy: -169.786
Base-Backbone interact. energy: 0.967
local terms energy: -179.494757
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -29.796
flat angles C4'-P-C4' energy: -34.601
flat angles P-C4'-P energy: -27.866
tors. eta vs tors. theta energy: -52.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -510.505242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.505242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.505242 (E_RNA)
where:
Base-Base interactions energy: -354.332
where: short stacking energy: -146.227
Base-Backbone interact. energy: -0.454
local terms energy: -155.719653
where:
bonds (distance) C4'-P energy: -30.938
bonds (distance) P-C4' energy: -29.562
flat angles C4'-P-C4' energy: -31.576
flat angles P-C4'-P energy: -26.417
tors. eta vs tors. theta energy: -37.226
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: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -427.572746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.572746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.572746 (E_RNA)
where:
Base-Base interactions energy: -262.727
where: short stacking energy: -122.415
Base-Backbone interact. energy: -3.046
local terms energy: -161.799714
where:
bonds (distance) C4'-P energy: -35.440
bonds (distance) P-C4' energy: -29.353
flat angles C4'-P-C4' energy: -35.809
flat angles P-C4'-P energy: -20.518
tors. eta vs tors. theta energy: -40.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -365.886595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.886595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.886595 (E_RNA)
where:
Base-Base interactions energy: -219.957
where: short stacking energy: -109.747
Base-Backbone interact. energy: -0.179
local terms energy: -145.750266
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -26.239
flat angles C4'-P-C4' energy: -32.428
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -28.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -196.930435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.930435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.930435 (E_RNA)
where:
Base-Base interactions energy: -81.440
where: short stacking energy: -61.974
Base-Backbone interact. energy: -1.214
local terms energy: -114.276377
where:
bonds (distance) C4'-P energy: -26.473
bonds (distance) P-C4' energy: -28.847
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -206.178926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.178926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.178926 (E_RNA)
where:
Base-Base interactions energy: -86.029
where: short stacking energy: -49.587
Base-Backbone interact. energy: 2.969
local terms energy: -123.119171
where:
bonds (distance) C4'-P energy: -31.554
bonds (distance) P-C4' energy: -36.929
flat angles C4'-P-C4' energy: -33.882
flat angles P-C4'-P energy: -18.228
tors. eta vs tors. theta energy: -2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -163.205891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.205891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.205891 (E_RNA)
where:
Base-Base interactions energy: -53.648
where: short stacking energy: -49.517
Base-Backbone interact. energy: 0.271
local terms energy: -109.829375
where:
bonds (distance) C4'-P energy: -32.642
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -23.593
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -160.603645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.603645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.603645 (E_RNA)
where:
Base-Base interactions energy: -45.147
where: short stacking energy: -36.462
Base-Backbone interact. energy: -1.268
local terms energy: -114.189281
where:
bonds (distance) C4'-P energy: -28.306
bonds (distance) P-C4' energy: -32.599
flat angles C4'-P-C4' energy: -36.461
flat angles P-C4'-P energy: -16.744
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: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -549.286468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.286468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.286468 (E_RNA)
where:
Base-Base interactions energy: -366.700
where: short stacking energy: -150.888
Base-Backbone interact. energy: -1.647
local terms energy: -180.939665
where:
bonds (distance) C4'-P energy: -34.330
bonds (distance) P-C4' energy: -38.310
flat angles C4'-P-C4' energy: -37.110
flat angles P-C4'-P energy: -27.776
tors. eta vs tors. theta energy: -43.414
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: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -546.763497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.763497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.763497 (E_RNA)
where:
Base-Base interactions energy: -358.408
where: short stacking energy: -166.398
Base-Backbone interact. energy: -0.398
local terms energy: -187.957266
where:
bonds (distance) C4'-P energy: -31.839
bonds (distance) P-C4' energy: -36.842
flat angles C4'-P-C4' energy: -39.244
flat angles P-C4'-P energy: -29.113
tors. eta vs tors. theta energy: -50.920
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: 445
Temperature: 1.000000
Total energy: -541.747310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.747310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.747310 (E_RNA)
where:
Base-Base interactions energy: -367.188
where: short stacking energy: -157.786
Base-Backbone interact. energy: 0.703
local terms energy: -175.262448
where:
bonds (distance) C4'-P energy: -36.340
bonds (distance) P-C4' energy: -34.458
flat angles C4'-P-C4' energy: -39.554
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -47.244
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: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -491.246172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.246172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.246172 (E_RNA)
where:
Base-Base interactions energy: -328.334
where: short stacking energy: -137.097
Base-Backbone interact. energy: 0.028
local terms energy: -162.939619
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -35.911
flat angles C4'-P-C4' energy: -35.843
flat angles P-C4'-P energy: -28.964
tors. eta vs tors. theta energy: -37.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -408.968994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.968994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.968994 (E_RNA)
where:
Base-Base interactions energy: -253.445
where: short stacking energy: -120.447
Base-Backbone interact. energy: -2.846
local terms energy: -152.678247
where:
bonds (distance) C4'-P energy: -26.355
bonds (distance) P-C4' energy: -29.311
flat angles C4'-P-C4' energy: -33.621
flat angles P-C4'-P energy: -20.086
tors. eta vs tors. theta energy: -43.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -375.589502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.589502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.589502 (E_RNA)
where:
Base-Base interactions energy: -217.420
where: short stacking energy: -108.034
Base-Backbone interact. energy: -0.118
local terms energy: -158.050832
where:
bonds (distance) C4'-P energy: -33.918
bonds (distance) P-C4' energy: -30.941
flat angles C4'-P-C4' energy: -36.612
flat angles P-C4'-P energy: -25.723
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: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -182.405443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.405443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.405443 (E_RNA)
where:
Base-Base interactions energy: -59.341
where: short stacking energy: -31.784
Base-Backbone interact. energy: -0.498
local terms energy: -122.566326
where:
bonds (distance) C4'-P energy: -35.307
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -32.203
flat angles P-C4'-P energy: -23.463
tors. eta vs tors. theta energy: 2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -196.025022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.025022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.025022 (E_RNA)
where:
Base-Base interactions energy: -94.767
where: short stacking energy: -39.154
Base-Backbone interact. energy: -1.028
local terms energy: -100.229540
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -28.919
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: 4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -150.990010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.990010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.990010 (E_RNA)
where:
Base-Base interactions energy: -58.383
where: short stacking energy: -32.633
Base-Backbone interact. energy: -0.073
local terms energy: -92.533992
where:
bonds (distance) C4'-P energy: -33.151
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -27.012
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: 7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -151.298630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.298630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.298630 (E_RNA)
where:
Base-Base interactions energy: -57.909
where: short stacking energy: -41.608
Base-Backbone interact. energy: -0.318
local terms energy: -93.071604
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -29.817
flat angles C4'-P-C4' energy: -28.228
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -557.019789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.019789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.019789 (E_RNA)
where:
Base-Base interactions energy: -365.585
where: short stacking energy: -161.077
Base-Backbone interact. energy: -0.281
local terms energy: -191.154487
where:
bonds (distance) C4'-P energy: -33.611
bonds (distance) P-C4' energy: -38.545
flat angles C4'-P-C4' energy: -41.583
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -55.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -516.588528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.588528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.588528 (E_RNA)
where:
Base-Base interactions energy: -353.278
where: short stacking energy: -128.558
Base-Backbone interact. energy: -1.603
local terms energy: -161.706916
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -33.934
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -25.580
tors. eta vs tors. theta energy: -38.165
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: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -525.082546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.082546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.082546 (E_RNA)
where:
Base-Base interactions energy: -347.892
where: short stacking energy: -154.676
Base-Backbone interact. energy: 0.331
local terms energy: -177.521448
where:
bonds (distance) C4'-P energy: -29.481
bonds (distance) P-C4' energy: -35.796
flat angles C4'-P-C4' energy: -40.625
flat angles P-C4'-P energy: -22.766
tors. eta vs tors. theta energy: -48.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -484.008117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.008117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.008117 (E_RNA)
where:
Base-Base interactions energy: -326.525
where: short stacking energy: -129.591
Base-Backbone interact. energy: 0.640
local terms energy: -158.123426
where:
bonds (distance) C4'-P energy: -30.799
bonds (distance) P-C4' energy: -35.447
flat angles C4'-P-C4' energy: -36.855
flat angles P-C4'-P energy: -18.492
tors. eta vs tors. theta energy: -36.530
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: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -439.813781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.813781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.813781 (E_RNA)
where:
Base-Base interactions energy: -275.056
where: short stacking energy: -130.508
Base-Backbone interact. energy: -0.049
local terms energy: -164.708925
where:
bonds (distance) C4'-P energy: -30.283
bonds (distance) P-C4' energy: -32.345
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -28.251
tors. eta vs tors. theta energy: -45.893
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: 6, replica: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -408.367754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.367754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.367754 (E_RNA)
where:
Base-Base interactions energy: -244.668
where: short stacking energy: -103.676
Base-Backbone interact. energy: 0.392
local terms energy: -164.091498
where:
bonds (distance) C4'-P energy: -32.717
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -39.400
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -32.605
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: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -184.213918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.213918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.213918 (E_RNA)
where:
Base-Base interactions energy: -73.486
where: short stacking energy: -64.323
Base-Backbone interact. energy: -0.376
local terms energy: -110.352015
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -36.938
flat angles C4'-P-C4' energy: -28.404
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -12.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -214.002845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.002845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.002845 (E_RNA)
where:
Base-Base interactions energy: -107.197
where: short stacking energy: -59.632
Base-Backbone interact. energy: -2.299
local terms energy: -104.506728
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -32.271
flat angles C4'-P-C4' energy: -28.114
flat angles P-C4'-P energy: -17.016
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: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -164.166574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.166574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.166574 (E_RNA)
where:
Base-Base interactions energy: -52.083
where: short stacking energy: -48.893
Base-Backbone interact. energy: -1.522
local terms energy: -110.561383
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -33.341
flat angles C4'-P-C4' energy: -30.720
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -7.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -156.970513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.970513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.970513 (E_RNA)
where:
Base-Base interactions energy: -42.803
where: short stacking energy: -26.684
Base-Backbone interact. energy: -0.818
local terms energy: -113.349275
where:
bonds (distance) C4'-P energy: -34.190
bonds (distance) P-C4' energy: -33.665
flat angles C4'-P-C4' energy: -30.451
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: 2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -565.351534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.351534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.351534 (E_RNA)
where:
Base-Base interactions energy: -384.553
where: short stacking energy: -160.245
Base-Backbone interact. energy: -0.199
local terms energy: -180.599492
where:
bonds (distance) C4'-P energy: -33.699
bonds (distance) P-C4' energy: -32.647
flat angles C4'-P-C4' energy: -39.038
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -56.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -522.799465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.799465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.799465 (E_RNA)
where:
Base-Base interactions energy: -366.754
where: short stacking energy: -128.994
Base-Backbone interact. energy: -1.304
local terms energy: -154.741878
where:
bonds (distance) C4'-P energy: -29.977
bonds (distance) P-C4' energy: -32.173
flat angles C4'-P-C4' energy: -35.538
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: -34.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -509.376811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.376811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.376811 (E_RNA)
where:
Base-Base interactions energy: -348.247
where: short stacking energy: -153.798
Base-Backbone interact. energy: -0.173
local terms energy: -160.957142
where:
bonds (distance) C4'-P energy: -31.408
bonds (distance) P-C4' energy: -26.789
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -22.082
tors. eta vs tors. theta energy: -42.828
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: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -486.097239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.097239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.097239 (E_RNA)
where:
Base-Base interactions energy: -324.305
where: short stacking energy: -138.091
Base-Backbone interact. energy: -1.070
local terms energy: -160.721941
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -37.214
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: -37.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -425.253027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.253027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.253027 (E_RNA)
where:
Base-Base interactions energy: -265.414
where: short stacking energy: -135.331
Base-Backbone interact. energy: -0.220
local terms energy: -159.619020
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -37.561
flat angles P-C4'-P energy: -20.199
tors. eta vs tors. theta energy: -42.860
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: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -412.038308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.038308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.038308 (E_RNA)
where:
Base-Base interactions energy: -261.027
where: short stacking energy: -123.491
Base-Backbone interact. energy: 0.444
local terms energy: -151.455937
where:
bonds (distance) C4'-P energy: -34.873
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -34.567
flat angles P-C4'-P energy: -20.610
tors. eta vs tors. theta energy: -37.818
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: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -175.363620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.363620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.363620 (E_RNA)
where:
Base-Base interactions energy: -62.245
where: short stacking energy: -53.173
Base-Backbone interact. energy: -0.263
local terms energy: -112.855664
where:
bonds (distance) C4'-P energy: -29.503
bonds (distance) P-C4' energy: -39.857
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -9.454
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: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -171.442084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.442084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.442084 (E_RNA)
where:
Base-Base interactions energy: -58.499
where: short stacking energy: -37.541
Base-Backbone interact. energy: 0.180
local terms energy: -113.123142
where:
bonds (distance) C4'-P energy: -30.883
bonds (distance) P-C4' energy: -33.986
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -198.139955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.139955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.139955 (E_RNA)
where:
Base-Base interactions energy: -77.561
where: short stacking energy: -47.002
Base-Backbone interact. energy: -0.330
local terms energy: -120.248526
where:
bonds (distance) C4'-P energy: -32.577
bonds (distance) P-C4' energy: -29.226
flat angles C4'-P-C4' energy: -30.114
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -157.338090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.338090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.338090 (E_RNA)
where:
Base-Base interactions energy: -54.979
where: short stacking energy: -39.247
Base-Backbone interact. energy: -0.981
local terms energy: -101.378315
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -30.121
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: 0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -555.588231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.588231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.588231 (E_RNA)
where:
Base-Base interactions energy: -372.109
where: short stacking energy: -144.953
Base-Backbone interact. energy: -0.481
local terms energy: -182.998423
where:
bonds (distance) C4'-P energy: -33.924
bonds (distance) P-C4' energy: -35.755
flat angles C4'-P-C4' energy: -34.403
flat angles P-C4'-P energy: -29.397
tors. eta vs tors. theta energy: -49.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -525.550403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.550403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.550403 (E_RNA)
where:
Base-Base interactions energy: -366.137
where: short stacking energy: -127.054
Base-Backbone interact. energy: -1.432
local terms energy: -157.981877
where:
bonds (distance) C4'-P energy: -28.656
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -32.610
flat angles P-C4'-P energy: -26.793
tors. eta vs tors. theta energy: -35.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -531.194832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.194832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.194832 (E_RNA)
where:
Base-Base interactions energy: -361.898
where: short stacking energy: -155.542
Base-Backbone interact. energy: -0.265
local terms energy: -169.032180
where:
bonds (distance) C4'-P energy: -35.322
bonds (distance) P-C4' energy: -32.876
flat angles C4'-P-C4' energy: -33.078
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -46.002
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: 4, replica: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -488.944308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.944308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.944308 (E_RNA)
where:
Base-Base interactions energy: -331.110
where: short stacking energy: -132.885
Base-Backbone interact. energy: 2.973
local terms energy: -160.808037
where:
bonds (distance) C4'-P energy: -29.395
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -38.023
flat angles P-C4'-P energy: -24.517
tors. eta vs tors. theta energy: -37.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -388.486919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.486919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.486919 (E_RNA)
where:
Base-Base interactions energy: -227.721
where: short stacking energy: -107.072
Base-Backbone interact. energy: -0.020
local terms energy: -160.746374
where:
bonds (distance) C4'-P energy: -36.425
bonds (distance) P-C4' energy: -36.592
flat angles C4'-P-C4' energy: -32.430
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -38.388
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: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -374.503723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.503723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.503723 (E_RNA)
where:
Base-Base interactions energy: -232.895
where: short stacking energy: -106.078
Base-Backbone interact. energy: -0.447
local terms energy: -141.161457
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -31.465
flat angles C4'-P-C4' energy: -34.431
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -29.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -217.418373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.418373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.418373 (E_RNA)
where:
Base-Base interactions energy: -98.728
where: short stacking energy: -58.211
Base-Backbone interact. energy: -0.551
local terms energy: -118.139364
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -32.843
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -25.509
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -178.234373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.234373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.234373 (E_RNA)
where:
Base-Base interactions energy: -78.891
where: short stacking energy: -52.685
Base-Backbone interact. energy: 0.207
local terms energy: -99.550767
where:
bonds (distance) C4'-P energy: -28.839
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -163.466931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.466931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.466931 (E_RNA)
where:
Base-Base interactions energy: -58.667
where: short stacking energy: -39.480
Base-Backbone interact. energy: 0.798
local terms energy: -105.597993
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -29.606
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -19.790
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: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -143.032271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.032271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.032271 (E_RNA)
where:
Base-Base interactions energy: -60.163
where: short stacking energy: -30.350
Base-Backbone interact. energy: -1.009
local terms energy: -81.860037
where:
bonds (distance) C4'-P energy: -23.465
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: 12.435
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: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -564.760278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.760278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.760278 (E_RNA)
where:
Base-Base interactions energy: -377.224
where: short stacking energy: -166.404
Base-Backbone interact. energy: -0.493
local terms energy: -187.043128
where:
bonds (distance) C4'-P energy: -36.919
bonds (distance) P-C4' energy: -38.313
flat angles C4'-P-C4' energy: -37.155
flat angles P-C4'-P energy: -24.489
tors. eta vs tors. theta energy: -50.167
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: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -549.544203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.544203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.544203 (E_RNA)
where:
Base-Base interactions energy: -397.204
where: short stacking energy: -143.544
Base-Backbone interact. energy: -0.889
local terms energy: -151.451795
where:
bonds (distance) C4'-P energy: -35.595
bonds (distance) P-C4' energy: -28.132
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: -39.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -520.233125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.233125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.233125 (E_RNA)
where:
Base-Base interactions energy: -342.934
where: short stacking energy: -157.989
Base-Backbone interact. energy: 0.595
local terms energy: -177.894532
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -35.645
flat angles C4'-P-C4' energy: -40.631
flat angles P-C4'-P energy: -26.003
tors. eta vs tors. theta energy: -45.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -482.537756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.537756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.537756 (E_RNA)
where:
Base-Base interactions energy: -312.801
where: short stacking energy: -147.849
Base-Backbone interact. energy: -2.881
local terms energy: -166.856451
where:
bonds (distance) C4'-P energy: -36.888
bonds (distance) P-C4' energy: -27.458
flat angles C4'-P-C4' energy: -33.812
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -44.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -423.989365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.989365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.989365 (E_RNA)
where:
Base-Base interactions energy: -275.440
where: short stacking energy: -131.343
Base-Backbone interact. energy: 0.868
local terms energy: -149.418015
where:
bonds (distance) C4'-P energy: -30.154
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -35.107
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -35.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -373.839032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.839032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.839032 (E_RNA)
where:
Base-Base interactions energy: -226.821
where: short stacking energy: -110.279
Base-Backbone interact. energy: -0.149
local terms energy: -146.868615
where:
bonds (distance) C4'-P energy: -27.570
bonds (distance) P-C4' energy: -26.882
flat angles C4'-P-C4' energy: -37.301
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: -31.379
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: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -189.053071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.053071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.053071 (E_RNA)
where:
Base-Base interactions energy: -83.497
where: short stacking energy: -47.329
Base-Backbone interact. energy: -0.372
local terms energy: -105.184734
where:
bonds (distance) C4'-P energy: -30.699
bonds (distance) P-C4' energy: -32.206
flat angles C4'-P-C4' energy: -35.919
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: 5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -168.120877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.120877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.120877 (E_RNA)
where:
Base-Base interactions energy: -72.440
where: short stacking energy: -34.195
Base-Backbone interact. energy: 0.932
local terms energy: -96.612315
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -31.666
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: 4.801
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: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -159.882161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.882161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.882161 (E_RNA)
where:
Base-Base interactions energy: -54.268
where: short stacking energy: -39.513
Base-Backbone interact. energy: -1.835
local terms energy: -103.779107
where:
bonds (distance) C4'-P energy: -33.102
bonds (distance) P-C4' energy: -27.998
flat angles C4'-P-C4' energy: -27.229
flat angles P-C4'-P energy: -21.796
tors. eta vs tors. theta energy: 6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -155.241398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.241398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.241398 (E_RNA)
where:
Base-Base interactions energy: -53.810
where: short stacking energy: -38.318
Base-Backbone interact. energy: -0.169
local terms energy: -101.262202
where:
bonds (distance) C4'-P energy: -28.401
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: 5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -547.637446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.637446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.637446 (E_RNA)
where:
Base-Base interactions energy: -393.421
where: short stacking energy: -137.464
Base-Backbone interact. energy: -2.117
local terms energy: -152.099281
where:
bonds (distance) C4'-P energy: -33.028
bonds (distance) P-C4' energy: -26.007
flat angles C4'-P-C4' energy: -33.457
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -37.597
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: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -547.961350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.961350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.961350 (E_RNA)
where:
Base-Base interactions energy: -361.373
where: short stacking energy: -170.018
Base-Backbone interact. energy: 0.439
local terms energy: -187.026702
where:
bonds (distance) C4'-P energy: -33.099
bonds (distance) P-C4' energy: -31.938
flat angles C4'-P-C4' energy: -41.856
flat angles P-C4'-P energy: -27.956
tors. eta vs tors. theta energy: -52.178
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: 450
Temperature: 1.000000
Total energy: -526.260206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.260206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.260206 (E_RNA)
where:
Base-Base interactions energy: -351.074
where: short stacking energy: -154.205
Base-Backbone interact. energy: 0.276
local terms energy: -175.461348
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -32.136
flat angles C4'-P-C4' energy: -35.733
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -51.022
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: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -477.928767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.928767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.928767 (E_RNA)
where:
Base-Base interactions energy: -299.798
where: short stacking energy: -136.584
Base-Backbone interact. energy: 0.192
local terms energy: -178.322608
where:
bonds (distance) C4'-P energy: -34.612
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -38.986
flat angles P-C4'-P energy: -28.351
tors. eta vs tors. theta energy: -48.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -416.490655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.490655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.490655 (E_RNA)
where:
Base-Base interactions energy: -262.627
where: short stacking energy: -113.516
Base-Backbone interact. energy: -1.501
local terms energy: -152.362055
where:
bonds (distance) C4'-P energy: -35.361
bonds (distance) P-C4' energy: -32.782
flat angles C4'-P-C4' energy: -36.041
flat angles P-C4'-P energy: -16.068
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: 6, replica: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -386.320528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.320528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.320528 (E_RNA)
where:
Base-Base interactions energy: -242.633
where: short stacking energy: -111.746
Base-Backbone interact. energy: -0.227
local terms energy: -143.460297
where:
bonds (distance) C4'-P energy: -36.947
bonds (distance) P-C4' energy: -29.830
flat angles C4'-P-C4' energy: -26.380
flat angles P-C4'-P energy: -19.578
tors. eta vs tors. theta energy: -30.726
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: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -174.164674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.164674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.164674 (E_RNA)
where:
Base-Base interactions energy: -61.626
where: short stacking energy: -55.472
Base-Backbone interact. energy: -0.238
local terms energy: -112.301319
where:
bonds (distance) C4'-P energy: -30.642
bonds (distance) P-C4' energy: -31.274
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -179.999553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.999553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.999553 (E_RNA)
where:
Base-Base interactions energy: -59.635
where: short stacking energy: -51.756
Base-Backbone interact. energy: -0.713
local terms energy: -119.651215
where:
bonds (distance) C4'-P energy: -31.387
bonds (distance) P-C4' energy: -37.652
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: -7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -163.533444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.533444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.533444 (E_RNA)
where:
Base-Base interactions energy: -59.208
where: short stacking energy: -45.997
Base-Backbone interact. energy: -0.807
local terms energy: -103.519005
where:
bonds (distance) C4'-P energy: -34.978
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: 1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -157.053094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.053094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.053094 (E_RNA)
where:
Base-Base interactions energy: -63.580
where: short stacking energy: -46.647
Base-Backbone interact. energy: -0.178
local terms energy: -93.295153
where:
bonds (distance) C4'-P energy: -30.528
bonds (distance) P-C4' energy: -34.502
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: 6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -563.547820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.547820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.547820 (E_RNA)
where:
Base-Base interactions energy: -392.205
where: short stacking energy: -140.512
Base-Backbone interact. energy: -3.030
local terms energy: -168.312112
where:
bonds (distance) C4'-P energy: -31.323
bonds (distance) P-C4' energy: -39.999
flat angles C4'-P-C4' energy: -38.553
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -36.515
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: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -537.043699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.043699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.043699 (E_RNA)
where:
Base-Base interactions energy: -351.593
where: short stacking energy: -154.260
Base-Backbone interact. energy: 0.343
local terms energy: -185.793173
where:
bonds (distance) C4'-P energy: -34.907
bonds (distance) P-C4' energy: -34.737
flat angles C4'-P-C4' energy: -40.169
flat angles P-C4'-P energy: -28.345
tors. eta vs tors. theta energy: -47.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -534.793646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.793646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.793646 (E_RNA)
where:
Base-Base interactions energy: -356.331
where: short stacking energy: -153.986
Base-Backbone interact. energy: -0.481
local terms energy: -177.982044
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -30.721
flat angles C4'-P-C4' energy: -39.100
flat angles P-C4'-P energy: -31.352
tors. eta vs tors. theta energy: -50.112
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: 451
Temperature: 1.050000
Total energy: -438.652845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.652845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.652845 (E_RNA)
where:
Base-Base interactions energy: -279.961
where: short stacking energy: -121.500
Base-Backbone interact. energy: -0.141
local terms energy: -158.550295
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -35.433
flat angles C4'-P-C4' energy: -30.410
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -39.613
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: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -483.064467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.064467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.064467 (E_RNA)
where:
Base-Base interactions energy: -320.408
where: short stacking energy: -145.924
Base-Backbone interact. energy: -0.177
local terms energy: -162.479144
where:
bonds (distance) C4'-P energy: -27.718
bonds (distance) P-C4' energy: -29.306
flat angles C4'-P-C4' energy: -38.906
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -45.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -378.324836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.324836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.324836 (E_RNA)
where:
Base-Base interactions energy: -224.579
where: short stacking energy: -104.849
Base-Backbone interact. energy: -0.540
local terms energy: -153.205609
where:
bonds (distance) C4'-P energy: -33.314
bonds (distance) P-C4' energy: -36.081
flat angles C4'-P-C4' energy: -34.062
flat angles P-C4'-P energy: -16.474
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: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -202.564818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.564818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.564818 (E_RNA)
where:
Base-Base interactions energy: -93.612
where: short stacking energy: -55.863
Base-Backbone interact. energy: -0.305
local terms energy: -108.647661
where:
bonds (distance) C4'-P energy: -34.142
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -22.675
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: 2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -215.374926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.374926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.374926 (E_RNA)
where:
Base-Base interactions energy: -111.141
where: short stacking energy: -49.028
Base-Backbone interact. energy: -0.358
local terms energy: -103.876342
where:
bonds (distance) C4'-P energy: -26.072
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -18.323
tors. eta vs tors. theta energy: -1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -167.612836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.612836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.612836 (E_RNA)
where:
Base-Base interactions energy: -71.773
where: short stacking energy: -39.072
Base-Backbone interact. energy: -1.560
local terms energy: -94.280234
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -29.992
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: 4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -151.087260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.087260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.087260 (E_RNA)
where:
Base-Base interactions energy: -61.621
where: short stacking energy: -43.547
Base-Backbone interact. energy: -0.727
local terms energy: -88.739388
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: 6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -554.036257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.036257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.036257 (E_RNA)
where:
Base-Base interactions energy: -366.566
where: short stacking energy: -148.209
Base-Backbone interact. energy: -0.951
local terms energy: -186.519415
where:
bonds (distance) C4'-P energy: -35.564
bonds (distance) P-C4' energy: -36.052
flat angles C4'-P-C4' energy: -39.998
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -50.870
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: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -553.232021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.232021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.232021 (E_RNA)
where:
Base-Base interactions energy: -379.801
where: short stacking energy: -141.345
Base-Backbone interact. energy: -4.143
local terms energy: -169.287801
where:
bonds (distance) C4'-P energy: -34.617
bonds (distance) P-C4' energy: -35.631
flat angles C4'-P-C4' energy: -36.864
flat angles P-C4'-P energy: -19.969
tors. eta vs tors. theta energy: -42.208
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: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -501.770080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.770080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.770080 (E_RNA)
where:
Base-Base interactions energy: -326.668
where: short stacking energy: -148.360
Base-Backbone interact. energy: 0.130
local terms energy: -175.232639
where:
bonds (distance) C4'-P energy: -36.128
bonds (distance) P-C4' energy: -31.436
flat angles C4'-P-C4' energy: -34.996
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -46.872
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: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -464.276096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.276096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.276096 (E_RNA)
where:
Base-Base interactions energy: -287.366
where: short stacking energy: -124.061
Base-Backbone interact. energy: -0.161
local terms energy: -176.749127
where:
bonds (distance) C4'-P energy: -38.400
bonds (distance) P-C4' energy: -31.944
flat angles C4'-P-C4' energy: -40.250
flat angles P-C4'-P energy: -25.523
tors. eta vs tors. theta energy: -40.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -475.248755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.248755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.248755 (E_RNA)
where:
Base-Base interactions energy: -306.009
where: short stacking energy: -133.438
Base-Backbone interact. energy: 1.708
local terms energy: -170.946836
where:
bonds (distance) C4'-P energy: -32.238
bonds (distance) P-C4' energy: -34.143
flat angles C4'-P-C4' energy: -35.602
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -49.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -371.653867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.653867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.653867 (E_RNA)
where:
Base-Base interactions energy: -238.077
where: short stacking energy: -99.916
Base-Backbone interact. energy: -0.857
local terms energy: -132.720082
where:
bonds (distance) C4'-P energy: -27.979
bonds (distance) P-C4' energy: -31.929
flat angles C4'-P-C4' energy: -28.179
flat angles P-C4'-P energy: -15.750
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: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -231.525445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.525445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.525445 (E_RNA)
where:
Base-Base interactions energy: -137.027
where: short stacking energy: -61.298
Base-Backbone interact. energy: -1.123
local terms energy: -93.375523
where:
bonds (distance) C4'-P energy: -32.871
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -188.890276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.890276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.890276 (E_RNA)
where:
Base-Base interactions energy: -87.438
where: short stacking energy: -60.096
Base-Backbone interact. energy: 2.056
local terms energy: -103.508381
where:
bonds (distance) C4'-P energy: -31.966
bonds (distance) P-C4' energy: -28.581
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -6.712
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: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -171.726479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.726479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.726479 (E_RNA)
where:
Base-Base interactions energy: -70.809
where: short stacking energy: -37.717
Base-Backbone interact. energy: 0.195
local terms energy: -101.112944
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -29.267
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -175.229955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.229955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.229955 (E_RNA)
where:
Base-Base interactions energy: -67.354
where: short stacking energy: -47.812
Base-Backbone interact. energy: -0.596
local terms energy: -107.279956
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -27.384
flat angles C4'-P-C4' energy: -28.070
flat angles P-C4'-P energy: -18.570
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -561.565605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.565605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.565605 (E_RNA)
where:
Base-Base interactions energy: -372.579
where: short stacking energy: -151.511
Base-Backbone interact. energy: -0.073
local terms energy: -188.914139
where:
bonds (distance) C4'-P energy: -36.219
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -39.887
flat angles P-C4'-P energy: -25.153
tors. eta vs tors. theta energy: -46.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -553.141068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.141068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.141068 (E_RNA)
where:
Base-Base interactions energy: -383.025
where: short stacking energy: -136.453
Base-Backbone interact. energy: -3.083
local terms energy: -167.032626
where:
bonds (distance) C4'-P energy: -34.025
bonds (distance) P-C4' energy: -38.489
flat angles C4'-P-C4' energy: -34.167
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -40.607
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: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -514.400948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.400948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.400948 (E_RNA)
where:
Base-Base interactions energy: -346.784
where: short stacking energy: -156.231
Base-Backbone interact. energy: -0.099
local terms energy: -167.518236
where:
bonds (distance) C4'-P energy: -30.763
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -36.564
flat angles P-C4'-P energy: -20.048
tors. eta vs tors. theta energy: -47.500
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: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -479.121871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.121871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.121871 (E_RNA)
where:
Base-Base interactions energy: -314.447
where: short stacking energy: -137.982
Base-Backbone interact. energy: -0.555
local terms energy: -164.120112
where:
bonds (distance) C4'-P energy: -30.036
bonds (distance) P-C4' energy: -27.803
flat angles C4'-P-C4' energy: -40.943
flat angles P-C4'-P energy: -20.553
tors. eta vs tors. theta energy: -44.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -443.035726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.035726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.035726 (E_RNA)
where:
Base-Base interactions energy: -288.864
where: short stacking energy: -127.848
Base-Backbone interact. energy: -0.958
local terms energy: -153.213224
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -36.646
flat angles C4'-P-C4' energy: -33.951
flat angles P-C4'-P energy: -23.902
tors. eta vs tors. theta energy: -38.442
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: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -396.102224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.102224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.102224 (E_RNA)
where:
Base-Base interactions energy: -254.329
where: short stacking energy: -106.221
Base-Backbone interact. energy: 0.152
local terms energy: -141.925767
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -32.415
flat angles C4'-P-C4' energy: -29.527
flat angles P-C4'-P energy: -22.469
tors. eta vs tors. theta energy: -26.097
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: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -268.629103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.629103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.629103 (E_RNA)
where:
Base-Base interactions energy: -139.936
where: short stacking energy: -60.687
Base-Backbone interact. energy: -1.108
local terms energy: -127.584527
where:
bonds (distance) C4'-P energy: -32.692
bonds (distance) P-C4' energy: -32.736
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -161.309545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.309545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.309545 (E_RNA)
where:
Base-Base interactions energy: -43.247
where: short stacking energy: -42.277
Base-Backbone interact. energy: -0.689
local terms energy: -117.373179
where:
bonds (distance) C4'-P energy: -28.254
bonds (distance) P-C4' energy: -33.347
flat angles C4'-P-C4' energy: -36.811
flat angles P-C4'-P energy: -26.917
tors. eta vs tors. theta energy: 7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -174.819461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.819461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.819461 (E_RNA)
where:
Base-Base interactions energy: -75.640
where: short stacking energy: -49.009
Base-Backbone interact. energy: 1.460
local terms energy: -100.638973
where:
bonds (distance) C4'-P energy: -31.671
bonds (distance) P-C4' energy: -25.510
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -12.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -173.582738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.582738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.582738 (E_RNA)
where:
Base-Base interactions energy: -87.717
where: short stacking energy: -54.645
Base-Backbone interact. energy: 4.408
local terms energy: -90.273821
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -27.372
flat angles C4'-P-C4' energy: -29.819
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: 3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -565.244367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.244367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.244367 (E_RNA)
where:
Base-Base interactions energy: -380.019
where: short stacking energy: -152.096
Base-Backbone interact. energy: -0.098
local terms energy: -185.127918
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -30.135
flat angles C4'-P-C4' energy: -43.148
flat angles P-C4'-P energy: -29.611
tors. eta vs tors. theta energy: -46.117
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: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -536.646526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.646526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.646526 (E_RNA)
where:
Base-Base interactions energy: -372.191
where: short stacking energy: -132.165
Base-Backbone interact. energy: -2.085
local terms energy: -162.370967
where:
bonds (distance) C4'-P energy: -37.556
bonds (distance) P-C4' energy: -32.967
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -21.267
tors. eta vs tors. theta energy: -41.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -525.308857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.308857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.308857 (E_RNA)
where:
Base-Base interactions energy: -342.086
where: short stacking energy: -153.720
Base-Backbone interact. energy: -0.011
local terms energy: -183.211849
where:
bonds (distance) C4'-P energy: -30.471
bonds (distance) P-C4' energy: -34.635
flat angles C4'-P-C4' energy: -37.705
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: -56.718
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: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -492.872965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.872965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.872965 (E_RNA)
where:
Base-Base interactions energy: -329.275
where: short stacking energy: -143.872
Base-Backbone interact. energy: -0.431
local terms energy: -163.167288
where:
bonds (distance) C4'-P energy: -25.944
bonds (distance) P-C4' energy: -36.723
flat angles C4'-P-C4' energy: -30.263
flat angles P-C4'-P energy: -28.345
tors. eta vs tors. theta energy: -41.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -412.944752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.944752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.944752 (E_RNA)
where:
Base-Base interactions energy: -252.677
where: short stacking energy: -110.481
Base-Backbone interact. energy: -1.787
local terms energy: -158.480607
where:
bonds (distance) C4'-P energy: -31.868
bonds (distance) P-C4' energy: -35.333
flat angles C4'-P-C4' energy: -36.496
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -33.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -407.398565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.398565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.398565 (E_RNA)
where:
Base-Base interactions energy: -253.733
where: short stacking energy: -109.662
Base-Backbone interact. energy: -0.211
local terms energy: -153.454716
where:
bonds (distance) C4'-P energy: -33.171
bonds (distance) P-C4' energy: -33.679
flat angles C4'-P-C4' energy: -30.462
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -37.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -296.126270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.126270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.126270 (E_RNA)
where:
Base-Base interactions energy: -165.845
where: short stacking energy: -81.375
Base-Backbone interact. energy: -0.746
local terms energy: -129.535158
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -37.825
flat angles C4'-P-C4' energy: -35.713
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -11.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -182.520395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.520395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.520395 (E_RNA)
where:
Base-Base interactions energy: -57.024
where: short stacking energy: -53.256
Base-Backbone interact. energy: 1.420
local terms energy: -126.916427
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -35.150
flat angles C4'-P-C4' energy: -34.390
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: 5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -214.300636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.300636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.300636 (E_RNA)
where:
Base-Base interactions energy: -87.993
where: short stacking energy: -47.724
Base-Backbone interact. energy: -0.066
local terms energy: -126.242130
where:
bonds (distance) C4'-P energy: -27.739
bonds (distance) P-C4' energy: -34.034
flat angles C4'-P-C4' energy: -36.211
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -142.253884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.253884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.253884 (E_RNA)
where:
Base-Base interactions energy: -52.500
where: short stacking energy: -41.995
Base-Backbone interact. energy: -0.151
local terms energy: -89.602968
where:
bonds (distance) C4'-P energy: -31.769
bonds (distance) P-C4' energy: -29.273
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: 0.262
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: 455
Temperature: 0.900000
Total energy: -560.227494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.227494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.227494 (E_RNA)
where:
Base-Base interactions energy: -385.085
where: short stacking energy: -158.486
Base-Backbone interact. energy: -0.059
local terms energy: -175.082836
where:
bonds (distance) C4'-P energy: -33.996
bonds (distance) P-C4' energy: -38.397
flat angles C4'-P-C4' energy: -38.625
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -43.903
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: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -547.780802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.780802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.780802 (E_RNA)
where:
Base-Base interactions energy: -364.770
where: short stacking energy: -165.719
Base-Backbone interact. energy: -0.259
local terms energy: -182.752277
where:
bonds (distance) C4'-P energy: -34.757
bonds (distance) P-C4' energy: -36.146
flat angles C4'-P-C4' energy: -32.581
flat angles P-C4'-P energy: -31.926
tors. eta vs tors. theta energy: -47.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -520.187976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.187976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.187976 (E_RNA)
where:
Base-Base interactions energy: -365.637
where: short stacking energy: -119.203
Base-Backbone interact. energy: -1.604
local terms energy: -152.946586
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -31.621
flat angles C4'-P-C4' energy: -36.765
flat angles P-C4'-P energy: -21.650
tors. eta vs tors. theta energy: -31.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -494.068990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.068990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.068990 (E_RNA)
where:
Base-Base interactions energy: -327.664
where: short stacking energy: -147.567
Base-Backbone interact. energy: -0.436
local terms energy: -165.969130
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -28.529
flat angles C4'-P-C4' energy: -32.072
flat angles P-C4'-P energy: -29.116
tors. eta vs tors. theta energy: -46.157
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: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -382.562591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.562591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.562591 (E_RNA)
where:
Base-Base interactions energy: -249.093
where: short stacking energy: -103.634
Base-Backbone interact. energy: -0.533
local terms energy: -132.937217
where:
bonds (distance) C4'-P energy: -25.309
bonds (distance) P-C4' energy: -28.208
flat angles C4'-P-C4' energy: -29.332
flat angles P-C4'-P energy: -22.470
tors. eta vs tors. theta energy: -27.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -387.776248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.776248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.776248 (E_RNA)
where:
Base-Base interactions energy: -231.944
where: short stacking energy: -113.391
Base-Backbone interact. energy: -0.424
local terms energy: -155.408656
where:
bonds (distance) C4'-P energy: -33.985
bonds (distance) P-C4' energy: -30.537
flat angles C4'-P-C4' energy: -35.316
flat angles P-C4'-P energy: -26.265
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: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -268.175223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.175223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.175223 (E_RNA)
where:
Base-Base interactions energy: -152.003
where: short stacking energy: -65.001
Base-Backbone interact. energy: 0.966
local terms energy: -117.138261
where:
bonds (distance) C4'-P energy: -28.560
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -26.546
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -215.105345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.105345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.105345 (E_RNA)
where:
Base-Base interactions energy: -99.553
where: short stacking energy: -50.703
Base-Backbone interact. energy: 0.752
local terms energy: -116.303560
where:
bonds (distance) C4'-P energy: -30.583
bonds (distance) P-C4' energy: -34.988
flat angles C4'-P-C4' energy: -27.872
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -178.181320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.181320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.181320 (E_RNA)
where:
Base-Base interactions energy: -63.620
where: short stacking energy: -51.675
Base-Backbone interact. energy: -0.763
local terms energy: -113.798779
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -35.794
flat angles C4'-P-C4' energy: -27.617
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -149.368594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.368594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.368594 (E_RNA)
where:
Base-Base interactions energy: -45.758
where: short stacking energy: -32.522
Base-Backbone interact. energy: 1.296
local terms energy: -104.906661
where:
bonds (distance) C4'-P energy: -27.774
bonds (distance) P-C4' energy: -28.920
flat angles C4'-P-C4' energy: -29.904
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: 4.045
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: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -548.679519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.679519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.679519 (E_RNA)
where:
Base-Base interactions energy: -368.477
where: short stacking energy: -173.006
Base-Backbone interact. energy: -0.004
local terms energy: -180.198766
where:
bonds (distance) C4'-P energy: -33.036
bonds (distance) P-C4' energy: -34.271
flat angles C4'-P-C4' energy: -35.233
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -53.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -546.357704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.357704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.357704 (E_RNA)
where:
Base-Base interactions energy: -359.157
where: short stacking energy: -156.891
Base-Backbone interact. energy: 1.674
local terms energy: -188.874743
where:
bonds (distance) C4'-P energy: -38.260
bonds (distance) P-C4' energy: -35.631
flat angles C4'-P-C4' energy: -42.231
flat angles P-C4'-P energy: -25.083
tors. eta vs tors. theta energy: -47.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -539.648962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.648962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.648962 (E_RNA)
where:
Base-Base interactions energy: -373.158
where: short stacking energy: -142.336
Base-Backbone interact. energy: -3.381
local terms energy: -163.109617
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -26.436
tors. eta vs tors. theta energy: -38.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -503.154861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.154861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.154861 (E_RNA)
where:
Base-Base interactions energy: -329.796
where: short stacking energy: -119.195
Base-Backbone interact. energy: -0.438
local terms energy: -172.921317
where:
bonds (distance) C4'-P energy: -35.528
bonds (distance) P-C4' energy: -34.702
flat angles C4'-P-C4' energy: -39.524
flat angles P-C4'-P energy: -24.568
tors. eta vs tors. theta energy: -38.599
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: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -404.860091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.860091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.860091 (E_RNA)
where:
Base-Base interactions energy: -243.468
where: short stacking energy: -123.522
Base-Backbone interact. energy: -0.105
local terms energy: -161.287647
where:
bonds (distance) C4'-P energy: -28.149
bonds (distance) P-C4' energy: -30.706
flat angles C4'-P-C4' energy: -40.662
flat angles P-C4'-P energy: -25.096
tors. eta vs tors. theta energy: -36.674
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: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -362.792694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.792694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.792694 (E_RNA)
where:
Base-Base interactions energy: -219.456
where: short stacking energy: -95.403
Base-Backbone interact. energy: 1.943
local terms energy: -145.279413
where:
bonds (distance) C4'-P energy: -34.960
bonds (distance) P-C4' energy: -33.573
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -25.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -283.998769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.998769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.998769 (E_RNA)
where:
Base-Base interactions energy: -150.732
where: short stacking energy: -84.992
Base-Backbone interact. energy: -0.553
local terms energy: -132.713938
where:
bonds (distance) C4'-P energy: -25.170
bonds (distance) P-C4' energy: -33.113
flat angles C4'-P-C4' energy: -28.905
flat angles P-C4'-P energy: -22.544
tors. eta vs tors. theta energy: -22.983
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: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -211.059540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.059540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.059540 (E_RNA)
where:
Base-Base interactions energy: -92.649
where: short stacking energy: -64.509
Base-Backbone interact. energy: -1.234
local terms energy: -117.177004
where:
bonds (distance) C4'-P energy: -33.387
bonds (distance) P-C4' energy: -29.593
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -156.849350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.849350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.849350 (E_RNA)
where:
Base-Base interactions energy: -52.364
where: short stacking energy: -42.882
Base-Backbone interact. energy: 0.545
local terms energy: -105.030427
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -42.507
flat angles C4'-P-C4' energy: -23.731
flat angles P-C4'-P energy: -12.019
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: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -137.611974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.611974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.611974 (E_RNA)
where:
Base-Base interactions energy: -65.772
where: short stacking energy: -33.283
Base-Backbone interact. energy: -1.440
local terms energy: -70.400365
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -29.730
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: 17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -566.081169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.081169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.081169 (E_RNA)
where:
Base-Base interactions energy: -383.852
where: short stacking energy: -166.482
Base-Backbone interact. energy: -0.468
local terms energy: -181.761296
where:
bonds (distance) C4'-P energy: -32.684
bonds (distance) P-C4' energy: -30.078
flat angles C4'-P-C4' energy: -34.992
flat angles P-C4'-P energy: -31.115
tors. eta vs tors. theta energy: -52.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -555.053699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.053699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.053699 (E_RNA)
where:
Base-Base interactions energy: -379.379
where: short stacking energy: -149.109
Base-Backbone interact. energy: -0.050
local terms energy: -175.624782
where:
bonds (distance) C4'-P energy: -29.839
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -40.485
flat angles P-C4'-P energy: -25.579
tors. eta vs tors. theta energy: -47.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -519.852597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.852597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.852597 (E_RNA)
where:
Base-Base interactions energy: -362.623
where: short stacking energy: -122.672
Base-Backbone interact. energy: -1.872
local terms energy: -155.356882
where:
bonds (distance) C4'-P energy: -34.558
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: -31.953
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: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -485.608327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.608327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.608327 (E_RNA)
where:
Base-Base interactions energy: -330.737
where: short stacking energy: -136.233
Base-Backbone interact. energy: 0.421
local terms energy: -155.292061
where:
bonds (distance) C4'-P energy: -29.168
bonds (distance) P-C4' energy: -28.573
flat angles C4'-P-C4' energy: -32.443
flat angles P-C4'-P energy: -24.477
tors. eta vs tors. theta energy: -40.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -406.654333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.654333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.654333 (E_RNA)
where:
Base-Base interactions energy: -261.522
where: short stacking energy: -130.785
Base-Backbone interact. energy: -0.035
local terms energy: -145.097450
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -29.157
flat angles C4'-P-C4' energy: -33.748
flat angles P-C4'-P energy: -25.404
tors. eta vs tors. theta energy: -33.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -393.461539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.461539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.461539 (E_RNA)
where:
Base-Base interactions energy: -248.966
where: short stacking energy: -112.789
Base-Backbone interact. energy: -1.259
local terms energy: -143.235745
where:
bonds (distance) C4'-P energy: -32.477
bonds (distance) P-C4' energy: -24.569
flat angles C4'-P-C4' energy: -26.104
flat angles P-C4'-P energy: -25.670
tors. eta vs tors. theta energy: -34.415
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: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -307.202169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.202169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.202169 (E_RNA)
where:
Base-Base interactions energy: -169.636
where: short stacking energy: -96.346
Base-Backbone interact. energy: -0.277
local terms energy: -137.288628
where:
bonds (distance) C4'-P energy: -33.081
bonds (distance) P-C4' energy: -34.668
flat angles C4'-P-C4' energy: -28.145
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -158.857984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.857984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.857984 (E_RNA)
where:
Base-Base interactions energy: -43.707
where: short stacking energy: -42.748
Base-Backbone interact. energy: -0.268
local terms energy: -114.882209
where:
bonds (distance) C4'-P energy: -33.970
bonds (distance) P-C4' energy: -34.519
flat angles C4'-P-C4' energy: -30.915
flat angles P-C4'-P energy: -14.187
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: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -170.826026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.826026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.826026 (E_RNA)
where:
Base-Base interactions energy: -67.339
where: short stacking energy: -60.937
Base-Backbone interact. energy: -0.268
local terms energy: -103.218894
where:
bonds (distance) C4'-P energy: -26.513
bonds (distance) P-C4' energy: -33.390
flat angles C4'-P-C4' energy: -30.605
flat angles P-C4'-P energy: -9.827
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: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -149.534318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.534318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.534318 (E_RNA)
where:
Base-Base interactions energy: -57.254
where: short stacking energy: -26.789
Base-Backbone interact. energy: -1.099
local terms energy: -91.181874
where:
bonds (distance) C4'-P energy: -29.213
bonds (distance) P-C4' energy: -28.581
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -23.300
tors. eta vs tors. theta energy: 6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -568.536597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.536597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.536597 (E_RNA)
where:
Base-Base interactions energy: -374.757
where: short stacking energy: -163.288
Base-Backbone interact. energy: -0.754
local terms energy: -193.026105
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -38.958
flat angles C4'-P-C4' energy: -43.038
flat angles P-C4'-P energy: -24.210
tors. eta vs tors. theta energy: -53.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -543.425202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.425202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.425202 (E_RNA)
where:
Base-Base interactions energy: -359.240
where: short stacking energy: -170.868
Base-Backbone interact. energy: -0.009
local terms energy: -184.176577
where:
bonds (distance) C4'-P energy: -33.887
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -38.481
flat angles P-C4'-P energy: -27.404
tors. eta vs tors. theta energy: -56.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -496.514485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.514485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.514485 (E_RNA)
where:
Base-Base interactions energy: -326.651
where: short stacking energy: -142.321
Base-Backbone interact. energy: -0.090
local terms energy: -169.774120
where:
bonds (distance) C4'-P energy: -30.178
bonds (distance) P-C4' energy: -36.563
flat angles C4'-P-C4' energy: -41.712
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -38.991
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: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -508.375883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.375883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.375883 (E_RNA)
where:
Base-Base interactions energy: -356.873
where: short stacking energy: -138.060
Base-Backbone interact. energy: -2.961
local terms energy: -148.541596
where:
bonds (distance) C4'-P energy: -28.922
bonds (distance) P-C4' energy: -35.005
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -23.344
tors. eta vs tors. theta energy: -37.498
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: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -405.097605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.097605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.097605 (E_RNA)
where:
Base-Base interactions energy: -257.864
where: short stacking energy: -97.010
Base-Backbone interact. energy: -0.559
local terms energy: -146.674263
where:
bonds (distance) C4'-P energy: -34.866
bonds (distance) P-C4' energy: -36.968
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -31.896
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: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -394.746015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.746015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.746015 (E_RNA)
where:
Base-Base interactions energy: -232.889
where: short stacking energy: -119.551
Base-Backbone interact. energy: 0.587
local terms energy: -162.443727
where:
bonds (distance) C4'-P energy: -34.644
bonds (distance) P-C4' energy: -36.694
flat angles C4'-P-C4' energy: -30.511
flat angles P-C4'-P energy: -24.368
tors. eta vs tors. theta energy: -36.227
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: 458
Temperature: 1.200000
Total energy: -286.019072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.019072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.019072 (E_RNA)
where:
Base-Base interactions energy: -171.161
where: short stacking energy: -89.742
Base-Backbone interact. energy: -0.227
local terms energy: -114.630976
where:
bonds (distance) C4'-P energy: -26.001
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -26.863
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -169.886802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.886802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.886802 (E_RNA)
where:
Base-Base interactions energy: -58.282
where: short stacking energy: -43.211
Base-Backbone interact. energy: -0.441
local terms energy: -111.163431
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -33.181
flat angles C4'-P-C4' energy: -29.070
flat angles P-C4'-P energy: -19.996
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: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -176.413168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.413168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.413168 (E_RNA)
where:
Base-Base interactions energy: -79.135
where: short stacking energy: -47.591
Base-Backbone interact. energy: -0.516
local terms energy: -96.762799
where:
bonds (distance) C4'-P energy: -32.142
bonds (distance) P-C4' energy: -21.624
flat angles C4'-P-C4' energy: -26.591
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: 2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -163.251676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.251676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.251676 (E_RNA)
where:
Base-Base interactions energy: -58.882
where: short stacking energy: -44.073
Base-Backbone interact. energy: 0.971
local terms energy: -105.341149
where:
bonds (distance) C4'-P energy: -33.155
bonds (distance) P-C4' energy: -30.501
flat angles C4'-P-C4' energy: -26.367
flat angles P-C4'-P energy: -16.226
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: 1, replica: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -564.463248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.463248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.463248 (E_RNA)
where:
Base-Base interactions energy: -388.732
where: short stacking energy: -176.278
Base-Backbone interact. energy: 2.749
local terms energy: -178.479813
where:
bonds (distance) C4'-P energy: -30.685
bonds (distance) P-C4' energy: -34.459
flat angles C4'-P-C4' energy: -36.402
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -53.849
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: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -512.025241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.025241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.025241 (E_RNA)
where:
Base-Base interactions energy: -347.105
where: short stacking energy: -131.758
Base-Backbone interact. energy: -1.273
local terms energy: -163.647392
where:
bonds (distance) C4'-P energy: -29.496
bonds (distance) P-C4' energy: -30.599
flat angles C4'-P-C4' energy: -37.959
flat angles P-C4'-P energy: -25.232
tors. eta vs tors. theta energy: -40.362
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: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -520.295153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.295153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.295153 (E_RNA)
where:
Base-Base interactions energy: -336.676
where: short stacking energy: -157.555
Base-Backbone interact. energy: -0.030
local terms energy: -183.589147
where:
bonds (distance) C4'-P energy: -35.138
bonds (distance) P-C4' energy: -32.378
flat angles C4'-P-C4' energy: -35.960
flat angles P-C4'-P energy: -30.261
tors. eta vs tors. theta energy: -49.852
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: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -513.621397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.621397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.621397 (E_RNA)
where:
Base-Base interactions energy: -352.847
where: short stacking energy: -136.596
Base-Backbone interact. energy: -2.880
local terms energy: -157.894092
where:
bonds (distance) C4'-P energy: -33.930
bonds (distance) P-C4' energy: -29.046
flat angles C4'-P-C4' energy: -29.111
flat angles P-C4'-P energy: -27.223
tors. eta vs tors. theta energy: -38.583
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: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -403.180527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.180527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.180527 (E_RNA)
where:
Base-Base interactions energy: -249.931
where: short stacking energy: -128.709
Base-Backbone interact. energy: -0.084
local terms energy: -153.165378
where:
bonds (distance) C4'-P energy: -32.769
bonds (distance) P-C4' energy: -34.283
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -23.514
tors. eta vs tors. theta energy: -36.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -387.005512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.005512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.005512 (E_RNA)
where:
Base-Base interactions energy: -245.026
where: short stacking energy: -99.645
Base-Backbone interact. energy: -0.000
local terms energy: -141.979579
where:
bonds (distance) C4'-P energy: -27.399
bonds (distance) P-C4' energy: -30.719
flat angles C4'-P-C4' energy: -35.732
flat angles P-C4'-P energy: -19.617
tors. eta vs tors. theta energy: -28.513
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: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -315.301238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.301238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.301238 (E_RNA)
where:
Base-Base interactions energy: -194.215
where: short stacking energy: -93.477
Base-Backbone interact. energy: 0.892
local terms energy: -121.977567
where:
bonds (distance) C4'-P energy: -26.295
bonds (distance) P-C4' energy: -29.308
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -166.064143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.064143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.064143 (E_RNA)
where:
Base-Base interactions energy: -50.862
where: short stacking energy: -39.629
Base-Backbone interact. energy: -0.529
local terms energy: -114.672806
where:
bonds (distance) C4'-P energy: -35.892
bonds (distance) P-C4' energy: -33.527
flat angles C4'-P-C4' energy: -26.031
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: 1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -171.665732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.665732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.665732 (E_RNA)
where:
Base-Base interactions energy: -67.129
where: short stacking energy: -43.990
Base-Backbone interact. energy: -0.831
local terms energy: -103.704823
where:
bonds (distance) C4'-P energy: -30.833
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -25.475
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -158.373925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.373925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.373925 (E_RNA)
where:
Base-Base interactions energy: -60.309
where: short stacking energy: -35.965
Base-Backbone interact. energy: -0.526
local terms energy: -97.538548
where:
bonds (distance) C4'-P energy: -35.300
bonds (distance) P-C4' energy: -31.051
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: 11.659
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: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -562.058982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.058982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.058982 (E_RNA)
where:
Base-Base interactions energy: -374.493
where: short stacking energy: -162.712
Base-Backbone interact. energy: -0.123
local terms energy: -187.443224
where:
bonds (distance) C4'-P energy: -38.525
bonds (distance) P-C4' energy: -32.969
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -29.724
tors. eta vs tors. theta energy: -50.615
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: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -526.914333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.914333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.914333 (E_RNA)
where:
Base-Base interactions energy: -352.606
where: short stacking energy: -142.413
Base-Backbone interact. energy: -0.486
local terms energy: -173.821577
where:
bonds (distance) C4'-P energy: -29.847
bonds (distance) P-C4' energy: -36.237
flat angles C4'-P-C4' energy: -40.718
flat angles P-C4'-P energy: -24.739
tors. eta vs tors. theta energy: -42.280
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: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -541.393723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.393723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.393723 (E_RNA)
where:
Base-Base interactions energy: -370.206
where: short stacking energy: -139.160
Base-Backbone interact. energy: -2.831
local terms energy: -168.356284
where:
bonds (distance) C4'-P energy: -33.194
bonds (distance) P-C4' energy: -29.724
flat angles C4'-P-C4' energy: -37.619
flat angles P-C4'-P energy: -26.302
tors. eta vs tors. theta energy: -41.517
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: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -495.322570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.322570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.322570 (E_RNA)
where:
Base-Base interactions energy: -314.451
where: short stacking energy: -136.826
Base-Backbone interact. energy: 2.104
local terms energy: -182.975109
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -36.178
flat angles C4'-P-C4' energy: -38.036
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -47.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -409.395506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.395506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.395506 (E_RNA)
where:
Base-Base interactions energy: -260.269
where: short stacking energy: -116.192
Base-Backbone interact. energy: 0.369
local terms energy: -149.496059
where:
bonds (distance) C4'-P energy: -25.569
bonds (distance) P-C4' energy: -35.205
flat angles C4'-P-C4' energy: -32.196
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -33.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -375.426884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.426884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.426884 (E_RNA)
where:
Base-Base interactions energy: -221.462
where: short stacking energy: -103.941
Base-Backbone interact. energy: 0.725
local terms energy: -154.689476
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -37.629
flat angles C4'-P-C4' energy: -31.917
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: -29.771
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: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -294.924735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.924735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.924735 (E_RNA)
where:
Base-Base interactions energy: -168.198
where: short stacking energy: -85.075
Base-Backbone interact. energy: 0.514
local terms energy: -127.240497
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -30.545
flat angles C4'-P-C4' energy: -29.721
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -22.386
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: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -177.266527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.266527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.266527 (E_RNA)
where:
Base-Base interactions energy: -73.263
where: short stacking energy: -53.226
Base-Backbone interact. energy: -0.613
local terms energy: -103.390209
where:
bonds (distance) C4'-P energy: -30.684
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -4.801
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: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -155.699718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.699718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.699718 (E_RNA)
where:
Base-Base interactions energy: -52.815
where: short stacking energy: -40.799
Base-Backbone interact. energy: -0.814
local terms energy: -102.070523
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -32.299
flat angles C4'-P-C4' energy: -29.182
flat angles P-C4'-P energy: -20.357
tors. eta vs tors. theta energy: -0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -141.227807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.227807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.227807 (E_RNA)
where:
Base-Base interactions energy: -39.264
where: short stacking energy: -25.954
Base-Backbone interact. energy: -1.312
local terms energy: -100.651907
where:
bonds (distance) C4'-P energy: -36.431
bonds (distance) P-C4' energy: -36.127
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: 4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -556.655029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.655029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.655029 (E_RNA)
where:
Base-Base interactions energy: -380.146
where: short stacking energy: -162.413
Base-Backbone interact. energy: -0.132
local terms energy: -176.376055
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -41.997
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -49.077
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: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -546.060989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.060989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.060989 (E_RNA)
where:
Base-Base interactions energy: -386.678
where: short stacking energy: -149.472
Base-Backbone interact. energy: -1.130
local terms energy: -158.252756
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -35.719
flat angles C4'-P-C4' energy: -34.149
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -39.919
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: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -522.167980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.167980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.167980 (E_RNA)
where:
Base-Base interactions energy: -351.568
where: short stacking energy: -152.220
Base-Backbone interact. energy: 0.023
local terms energy: -170.622951
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -40.205
flat angles P-C4'-P energy: -32.078
tors. eta vs tors. theta energy: -44.309
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: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -502.240421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.240421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.240421 (E_RNA)
where:
Base-Base interactions energy: -333.136
where: short stacking energy: -155.823
Base-Backbone interact. energy: -0.031
local terms energy: -169.073448
where:
bonds (distance) C4'-P energy: -28.217
bonds (distance) P-C4' energy: -41.978
flat angles C4'-P-C4' energy: -32.473
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -49.998
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: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -400.808329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.808329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.808329 (E_RNA)
where:
Base-Base interactions energy: -249.014
where: short stacking energy: -108.790
Base-Backbone interact. energy: -0.890
local terms energy: -150.903616
where:
bonds (distance) C4'-P energy: -36.669
bonds (distance) P-C4' energy: -29.914
flat angles C4'-P-C4' energy: -27.930
flat angles P-C4'-P energy: -21.623
tors. eta vs tors. theta energy: -34.768
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: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -385.706519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.706519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.706519 (E_RNA)
where:
Base-Base interactions energy: -241.609
where: short stacking energy: -118.652
Base-Backbone interact. energy: -0.033
local terms energy: -144.064689
where:
bonds (distance) C4'-P energy: -29.159
bonds (distance) P-C4' energy: -30.651
flat angles C4'-P-C4' energy: -29.037
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -33.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -299.147576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.147576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.147576 (E_RNA)
where:
Base-Base interactions energy: -178.826
where: short stacking energy: -85.509
Base-Backbone interact. energy: 0.772
local terms energy: -121.093503
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -27.813
flat angles C4'-P-C4' energy: -37.608
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -16.969
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: 461
Temperature: 1.250000
Total energy: -168.722853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.722853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.722853 (E_RNA)
where:
Base-Base interactions energy: -67.236
where: short stacking energy: -59.087
Base-Backbone interact. energy: 1.433
local terms energy: -102.919788
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -194.459114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.459114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.459114 (E_RNA)
where:
Base-Base interactions energy: -86.879
where: short stacking energy: -43.742
Base-Backbone interact. energy: -1.730
local terms energy: -105.849383
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -31.683
flat angles C4'-P-C4' energy: -24.869
flat angles P-C4'-P energy: -25.346
tors. eta vs tors. theta energy: 0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -185.366686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.366686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.366686 (E_RNA)
where:
Base-Base interactions energy: -89.001
where: short stacking energy: -51.837
Base-Backbone interact. energy: -0.577
local terms energy: -95.788151
where:
bonds (distance) C4'-P energy: -28.050
bonds (distance) P-C4' energy: -31.525
flat angles C4'-P-C4' energy: -26.843
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: 9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -560.650815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.650815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.650815 (E_RNA)
where:
Base-Base interactions energy: -374.128
where: short stacking energy: -154.728
Base-Backbone interact. energy: -0.098
local terms energy: -186.424999
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -34.651
flat angles C4'-P-C4' energy: -38.440
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: -54.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -557.252059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.252059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.252059 (E_RNA)
where:
Base-Base interactions energy: -386.971
where: short stacking energy: -138.156
Base-Backbone interact. energy: -3.058
local terms energy: -167.223589
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -33.374
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -25.253
tors. eta vs tors. theta energy: -45.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -487.043156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.043156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.043156 (E_RNA)
where:
Base-Base interactions energy: -309.247
where: short stacking energy: -141.650
Base-Backbone interact. energy: -0.148
local terms energy: -177.647663
where:
bonds (distance) C4'-P energy: -27.851
bonds (distance) P-C4' energy: -37.133
flat angles C4'-P-C4' energy: -36.352
flat angles P-C4'-P energy: -25.052
tors. eta vs tors. theta energy: -51.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -501.683547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.683547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.683547 (E_RNA)
where:
Base-Base interactions energy: -347.936
where: short stacking energy: -145.989
Base-Backbone interact. energy: -0.764
local terms energy: -152.983708
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -25.430
flat angles C4'-P-C4' energy: -40.753
flat angles P-C4'-P energy: -25.522
tors. eta vs tors. theta energy: -40.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -405.079020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.079020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.079020 (E_RNA)
where:
Base-Base interactions energy: -244.768
where: short stacking energy: -110.302
Base-Backbone interact. energy: -0.589
local terms energy: -159.721977
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -30.374
flat angles C4'-P-C4' energy: -36.615
flat angles P-C4'-P energy: -22.966
tors. eta vs tors. theta energy: -38.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -361.471388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.471388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.471388 (E_RNA)
where:
Base-Base interactions energy: -224.118
where: short stacking energy: -102.659
Base-Backbone interact. energy: -1.040
local terms energy: -136.312971
where:
bonds (distance) C4'-P energy: -34.145
bonds (distance) P-C4' energy: -33.565
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -26.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -313.756012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.756012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.756012 (E_RNA)
where:
Base-Base interactions energy: -173.828
where: short stacking energy: -79.330
Base-Backbone interact. energy: -1.284
local terms energy: -138.644209
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: -17.642
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: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -191.803789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.803789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.803789 (E_RNA)
where:
Base-Base interactions energy: -88.615
where: short stacking energy: -65.215
Base-Backbone interact. energy: -0.058
local terms energy: -103.131217
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -26.510
flat angles C4'-P-C4' energy: -33.833
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -164.963387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.963387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.963387 (E_RNA)
where:
Base-Base interactions energy: -59.073
where: short stacking energy: -40.523
Base-Backbone interact. energy: -0.699
local terms energy: -105.191133
where:
bonds (distance) C4'-P energy: -25.781
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -30.485
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: 1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -161.007927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.007927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.007927 (E_RNA)
where:
Base-Base interactions energy: -63.708
where: short stacking energy: -30.341
Base-Backbone interact. energy: -1.203
local terms energy: -96.097117
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -32.800
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: 8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -576.574350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.574350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.574350 (E_RNA)
where:
Base-Base interactions energy: -380.913
where: short stacking energy: -162.735
Base-Backbone interact. energy: -0.034
local terms energy: -195.627082
where:
bonds (distance) C4'-P energy: -35.993
bonds (distance) P-C4' energy: -39.787
flat angles C4'-P-C4' energy: -37.828
flat angles P-C4'-P energy: -27.772
tors. eta vs tors. theta energy: -54.246
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: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -537.988435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.988435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.988435 (E_RNA)
where:
Base-Base interactions energy: -376.524
where: short stacking energy: -135.109
Base-Backbone interact. energy: -1.371
local terms energy: -160.093339
where:
bonds (distance) C4'-P energy: -27.317
bonds (distance) P-C4' energy: -31.465
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -25.059
tors. eta vs tors. theta energy: -45.395
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: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -501.811772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.811772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.811772 (E_RNA)
where:
Base-Base interactions energy: -325.153
where: short stacking energy: -148.362
Base-Backbone interact. energy: -0.146
local terms energy: -176.513296
where:
bonds (distance) C4'-P energy: -32.936
bonds (distance) P-C4' energy: -32.008
flat angles C4'-P-C4' energy: -37.571
flat angles P-C4'-P energy: -24.740
tors. eta vs tors. theta energy: -49.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -501.886922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.886922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.886922 (E_RNA)
where:
Base-Base interactions energy: -337.342
where: short stacking energy: -146.090
Base-Backbone interact. energy: 1.113
local terms energy: -165.657485
where:
bonds (distance) C4'-P energy: -30.727
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -28.540
tors. eta vs tors. theta energy: -43.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -415.230707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.230707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.230707 (E_RNA)
where:
Base-Base interactions energy: -254.251
where: short stacking energy: -112.029
Base-Backbone interact. energy: -0.989
local terms energy: -159.990485
where:
bonds (distance) C4'-P energy: -34.645
bonds (distance) P-C4' energy: -37.127
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -35.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -393.198804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.198804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.198804 (E_RNA)
where:
Base-Base interactions energy: -246.603
where: short stacking energy: -97.321
Base-Backbone interact. energy: -0.920
local terms energy: -145.676275
where:
bonds (distance) C4'-P energy: -32.824
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -27.638
flat angles P-C4'-P energy: -23.023
tors. eta vs tors. theta energy: -36.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -319.133397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.133397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.133397 (E_RNA)
where:
Base-Base interactions energy: -176.233
where: short stacking energy: -69.756
Base-Backbone interact. energy: -0.944
local terms energy: -141.956234
where:
bonds (distance) C4'-P energy: -32.510
bonds (distance) P-C4' energy: -30.920
flat angles C4'-P-C4' energy: -33.137
flat angles P-C4'-P energy: -21.810
tors. eta vs tors. theta energy: -23.579
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: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -162.028691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.028691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.028691 (E_RNA)
where:
Base-Base interactions energy: -61.919
where: short stacking energy: -43.081
Base-Backbone interact. energy: 3.385
local terms energy: -103.494979
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -38.378
flat angles C4'-P-C4' energy: -27.488
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: 4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -160.333645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.333645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.333645 (E_RNA)
where:
Base-Base interactions energy: -62.294
where: short stacking energy: -45.297
Base-Backbone interact. energy: -0.618
local terms energy: -97.421293
where:
bonds (distance) C4'-P energy: -25.532
bonds (distance) P-C4' energy: -30.458
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -18.313
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: 463
Temperature: 1.350000
Total energy: -200.908728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.908728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.908728 (E_RNA)
where:
Base-Base interactions energy: -99.746
where: short stacking energy: -33.828
Base-Backbone interact. energy: -0.769
local terms energy: -100.393862
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -33.253
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -575.386975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.386975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.386975 (E_RNA)
where:
Base-Base interactions energy: -382.419
where: short stacking energy: -160.004
Base-Backbone interact. energy: -0.287
local terms energy: -192.680736
where:
bonds (distance) C4'-P energy: -35.917
bonds (distance) P-C4' energy: -37.666
flat angles C4'-P-C4' energy: -38.927
flat angles P-C4'-P energy: -26.692
tors. eta vs tors. theta energy: -53.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -536.738496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.738496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.738496 (E_RNA)
where:
Base-Base interactions energy: -352.473
where: short stacking energy: -135.183
Base-Backbone interact. energy: -0.683
local terms energy: -183.582989
where:
bonds (distance) C4'-P energy: -40.483
bonds (distance) P-C4' energy: -38.375
flat angles C4'-P-C4' energy: -37.623
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -45.860
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: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -504.373273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.373273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.373273 (E_RNA)
where:
Base-Base interactions energy: -344.427
where: short stacking energy: -140.885
Base-Backbone interact. energy: 0.061
local terms energy: -160.007446
where:
bonds (distance) C4'-P energy: -30.704
bonds (distance) P-C4' energy: -35.215
flat angles C4'-P-C4' energy: -34.775
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -38.715
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: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -497.556570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.556570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.556570 (E_RNA)
where:
Base-Base interactions energy: -323.851
where: short stacking energy: -156.686
Base-Backbone interact. energy: -0.267
local terms energy: -173.439193
where:
bonds (distance) C4'-P energy: -27.334
bonds (distance) P-C4' energy: -34.952
flat angles C4'-P-C4' energy: -37.162
flat angles P-C4'-P energy: -22.290
tors. eta vs tors. theta energy: -51.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -401.669240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.669240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.669240 (E_RNA)
where:
Base-Base interactions energy: -257.419
where: short stacking energy: -116.001
Base-Backbone interact. energy: -1.629
local terms energy: -142.621947
where:
bonds (distance) C4'-P energy: -29.523
bonds (distance) P-C4' energy: -27.122
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -18.842
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: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -410.340835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.340835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.340835 (E_RNA)
where:
Base-Base interactions energy: -274.096
where: short stacking energy: -122.650
Base-Backbone interact. energy: -0.593
local terms energy: -135.651832
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -26.312
flat angles C4'-P-C4' energy: -36.518
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -31.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -348.354028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.354028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.354028 (E_RNA)
where:
Base-Base interactions energy: -213.223
where: short stacking energy: -95.001
Base-Backbone interact. energy: -0.896
local terms energy: -134.235569
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -38.612
flat angles C4'-P-C4' energy: -26.830
flat angles P-C4'-P energy: -21.218
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: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -178.577937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.577937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.577937 (E_RNA)
where:
Base-Base interactions energy: -67.727
where: short stacking energy: -46.740
Base-Backbone interact. energy: -0.271
local terms energy: -110.579873
where:
bonds (distance) C4'-P energy: -32.083
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -26.450
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -2.756
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: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -241.122914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.122914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.122914 (E_RNA)
where:
Base-Base interactions energy: -112.112
where: short stacking energy: -58.823
Base-Backbone interact. energy: -0.351
local terms energy: -128.660372
where:
bonds (distance) C4'-P energy: -33.216
bonds (distance) P-C4' energy: -35.309
flat angles C4'-P-C4' energy: -37.692
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -143.862871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.862871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.862871 (E_RNA)
where:
Base-Base interactions energy: -43.979
where: short stacking energy: -31.635
Base-Backbone interact. energy: -2.022
local terms energy: -97.862626
where:
bonds (distance) C4'-P energy: -31.652
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -577.251952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.251952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.251952 (E_RNA)
where:
Base-Base interactions energy: -390.006
where: short stacking energy: -169.328
Base-Backbone interact. energy: -0.051
local terms energy: -187.194570
where:
bonds (distance) C4'-P energy: -34.773
bonds (distance) P-C4' energy: -33.304
flat angles C4'-P-C4' energy: -38.255
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: -56.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -533.580676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.580676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.580676 (E_RNA)
where:
Base-Base interactions energy: -365.520
where: short stacking energy: -123.441
Base-Backbone interact. energy: -1.149
local terms energy: -166.912484
where:
bonds (distance) C4'-P energy: -32.218
bonds (distance) P-C4' energy: -39.760
flat angles C4'-P-C4' energy: -32.792
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -40.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -477.541843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.541843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.541843 (E_RNA)
where:
Base-Base interactions energy: -327.159
where: short stacking energy: -128.488
Base-Backbone interact. energy: 0.336
local terms energy: -150.718405
where:
bonds (distance) C4'-P energy: -25.192
bonds (distance) P-C4' energy: -34.876
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -38.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -471.288518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.288518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.288518 (E_RNA)
where:
Base-Base interactions energy: -295.889
where: short stacking energy: -142.179
Base-Backbone interact. energy: -0.233
local terms energy: -175.166484
where:
bonds (distance) C4'-P energy: -28.696
bonds (distance) P-C4' energy: -37.261
flat angles C4'-P-C4' energy: -37.953
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -48.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -396.824756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.824756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.824756 (E_RNA)
where:
Base-Base interactions energy: -244.789
where: short stacking energy: -114.089
Base-Backbone interact. energy: 0.554
local terms energy: -152.589852
where:
bonds (distance) C4'-P energy: -30.313
bonds (distance) P-C4' energy: -32.596
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: -38.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -404.840031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.840031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.840031 (E_RNA)
where:
Base-Base interactions energy: -258.758
where: short stacking energy: -128.473
Base-Backbone interact. energy: -0.878
local terms energy: -145.203880
where:
bonds (distance) C4'-P energy: -28.453
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -36.103
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -38.530
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: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -288.918499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.918499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.918499 (E_RNA)
where:
Base-Base interactions energy: -157.553
where: short stacking energy: -63.431
Base-Backbone interact. energy: -1.488
local terms energy: -129.877662
where:
bonds (distance) C4'-P energy: -40.303
bonds (distance) P-C4' energy: -31.059
flat angles C4'-P-C4' energy: -28.849
flat angles P-C4'-P energy: -17.798
tors. eta vs tors. theta energy: -11.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -215.839169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.839169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.839169 (E_RNA)
where:
Base-Base interactions energy: -113.267
where: short stacking energy: -60.359
Base-Backbone interact. energy: -0.346
local terms energy: -102.226026
where:
bonds (distance) C4'-P energy: -38.254
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -165.220766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.220766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.220766 (E_RNA)
where:
Base-Base interactions energy: -63.074
where: short stacking energy: -61.854
Base-Backbone interact. energy: -0.146
local terms energy: -102.001315
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -34.222
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -147.749881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.749881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.749881 (E_RNA)
where:
Base-Base interactions energy: -41.215
where: short stacking energy: -34.079
Base-Backbone interact. energy: -0.272
local terms energy: -106.262920
where:
bonds (distance) C4'-P energy: -22.680
bonds (distance) P-C4' energy: -35.374
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -12.114
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: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -548.399797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.399797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.399797 (E_RNA)
where:
Base-Base interactions energy: -382.676
where: short stacking energy: -127.025
Base-Backbone interact. energy: 0.511
local terms energy: -166.234499
where:
bonds (distance) C4'-P energy: -33.395
bonds (distance) P-C4' energy: -34.879
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -28.568
tors. eta vs tors. theta energy: -36.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -561.985536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.985536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.985536 (E_RNA)
where:
Base-Base interactions energy: -375.909
where: short stacking energy: -156.799
Base-Backbone interact. energy: 1.414
local terms energy: -187.490217
where:
bonds (distance) C4'-P energy: -36.348
bonds (distance) P-C4' energy: -38.484
flat angles C4'-P-C4' energy: -33.466
flat angles P-C4'-P energy: -27.361
tors. eta vs tors. theta energy: -51.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -495.504903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.504903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.504903 (E_RNA)
where:
Base-Base interactions energy: -320.762
where: short stacking energy: -131.572
Base-Backbone interact. energy: 0.477
local terms energy: -175.220421
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -41.137
flat angles C4'-P-C4' energy: -38.986
flat angles P-C4'-P energy: -24.891
tors. eta vs tors. theta energy: -40.044
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: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -462.066134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.066134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.066134 (E_RNA)
where:
Base-Base interactions energy: -296.436
where: short stacking energy: -131.472
Base-Backbone interact. energy: -0.650
local terms energy: -164.980753
where:
bonds (distance) C4'-P energy: -28.035
bonds (distance) P-C4' energy: -35.114
flat angles C4'-P-C4' energy: -35.119
flat angles P-C4'-P energy: -29.756
tors. eta vs tors. theta energy: -36.957
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: 5, replica: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -399.449026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.449026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.449026 (E_RNA)
where:
Base-Base interactions energy: -251.158
where: short stacking energy: -119.126
Base-Backbone interact. energy: -0.593
local terms energy: -147.698017
where:
bonds (distance) C4'-P energy: -32.635
bonds (distance) P-C4' energy: -29.795
flat angles C4'-P-C4' energy: -26.559
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -31.973
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: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -400.939305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.939305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.939305 (E_RNA)
where:
Base-Base interactions energy: -245.800
where: short stacking energy: -124.572
Base-Backbone interact. energy: 3.240
local terms energy: -158.379225
where:
bonds (distance) C4'-P energy: -27.155
bonds (distance) P-C4' energy: -28.781
flat angles C4'-P-C4' energy: -36.372
flat angles P-C4'-P energy: -20.308
tors. eta vs tors. theta energy: -45.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -323.070785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.070785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.070785 (E_RNA)
where:
Base-Base interactions energy: -190.236
where: short stacking energy: -95.838
Base-Backbone interact. energy: -0.803
local terms energy: -132.031382
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -29.171
flat angles C4'-P-C4' energy: -32.842
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -23.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -196.235643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.235643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.235643 (E_RNA)
where:
Base-Base interactions energy: -80.257
where: short stacking energy: -59.161
Base-Backbone interact. energy: 1.431
local terms energy: -117.410508
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -29.879
flat angles C4'-P-C4' energy: -37.907
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -6.687
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: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -168.049610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.049610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.049610 (E_RNA)
where:
Base-Base interactions energy: -49.011
where: short stacking energy: -36.893
Base-Backbone interact. energy: -0.155
local terms energy: -118.883546
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -39.956
flat angles C4'-P-C4' energy: -29.927
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: 1.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -156.939593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.939593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.939593 (E_RNA)
where:
Base-Base interactions energy: -50.123
where: short stacking energy: -36.400
Base-Backbone interact. energy: -0.845
local terms energy: -105.972075
where:
bonds (distance) C4'-P energy: -27.019
bonds (distance) P-C4' energy: -35.450
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: 0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -567.869443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.869443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.869443 (E_RNA)
where:
Base-Base interactions energy: -405.442
where: short stacking energy: -133.219
Base-Backbone interact. energy: -0.459
local terms energy: -161.968601
where:
bonds (distance) C4'-P energy: -31.661
bonds (distance) P-C4' energy: -37.330
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -36.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -548.444768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.444768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.444768 (E_RNA)
where:
Base-Base interactions energy: -370.474
where: short stacking energy: -153.999
Base-Backbone interact. energy: 0.009
local terms energy: -177.978995
where:
bonds (distance) C4'-P energy: -34.734
bonds (distance) P-C4' energy: -37.805
flat angles C4'-P-C4' energy: -40.384
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -41.219
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: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -512.106570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.106570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.106570 (E_RNA)
where:
Base-Base interactions energy: -348.996
where: short stacking energy: -147.677
Base-Backbone interact. energy: -0.368
local terms energy: -162.742319
where:
bonds (distance) C4'-P energy: -27.512
bonds (distance) P-C4' energy: -28.591
flat angles C4'-P-C4' energy: -40.988
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -44.391
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: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -461.924965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.924965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.924965 (E_RNA)
where:
Base-Base interactions energy: -295.717
where: short stacking energy: -126.748
Base-Backbone interact. energy: -0.256
local terms energy: -165.951342
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -33.238
flat angles C4'-P-C4' energy: -41.544
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -45.996
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: 7
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -410.815738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.815738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.815738 (E_RNA)
where:
Base-Base interactions energy: -262.782
where: short stacking energy: -124.305
Base-Backbone interact. energy: -1.085
local terms energy: -146.949432
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -31.767
flat angles C4'-P-C4' energy: -39.144
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: -30.193
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: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -356.740255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.740255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.740255 (E_RNA)
where:
Base-Base interactions energy: -204.751
where: short stacking energy: -103.303
Base-Backbone interact. energy: -0.194
local terms energy: -151.795693
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -34.674
flat angles C4'-P-C4' energy: -35.472
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -29.866
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: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -295.036956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.036956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.036956 (E_RNA)
where:
Base-Base interactions energy: -172.402
where: short stacking energy: -87.906
Base-Backbone interact. energy: 0.469
local terms energy: -123.104363
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -31.179
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -170.165477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.165477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.165477 (E_RNA)
where:
Base-Base interactions energy: -73.418
where: short stacking energy: -54.597
Base-Backbone interact. energy: -0.063
local terms energy: -96.683859
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -29.715
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -8.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -165.345086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.345086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.345086 (E_RNA)
where:
Base-Base interactions energy: -56.047
where: short stacking energy: -49.958
Base-Backbone interact. energy: 3.405
local terms energy: -112.703209
where:
bonds (distance) C4'-P energy: -35.887
bonds (distance) P-C4' energy: -30.590
flat angles C4'-P-C4' energy: -30.470
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: 2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -153.350017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.350017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.350017 (E_RNA)
where:
Base-Base interactions energy: -71.080
where: short stacking energy: -36.672
Base-Backbone interact. energy: -2.065
local terms energy: -80.204810
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -26.968
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: 9.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -574.530339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.530339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.530339 (E_RNA)
where:
Base-Base interactions energy: -400.673
where: short stacking energy: -141.900
Base-Backbone interact. energy: 0.430
local terms energy: -174.287416
where:
bonds (distance) C4'-P energy: -38.440
bonds (distance) P-C4' energy: -38.473
flat angles C4'-P-C4' energy: -37.173
flat angles P-C4'-P energy: -21.757
tors. eta vs tors. theta energy: -38.444
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: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -540.868346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.868346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.868346 (E_RNA)
where:
Base-Base interactions energy: -365.124
where: short stacking energy: -151.645
Base-Backbone interact. energy: 2.194
local terms energy: -177.938183
where:
bonds (distance) C4'-P energy: -37.575
bonds (distance) P-C4' energy: -32.005
flat angles C4'-P-C4' energy: -38.720
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -46.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -536.378149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.378149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.378149 (E_RNA)
where:
Base-Base interactions energy: -357.426
where: short stacking energy: -164.027
Base-Backbone interact. energy: -0.191
local terms energy: -178.760866
where:
bonds (distance) C4'-P energy: -29.311
bonds (distance) P-C4' energy: -32.322
flat angles C4'-P-C4' energy: -40.584
flat angles P-C4'-P energy: -27.323
tors. eta vs tors. theta energy: -49.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -468.480401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.480401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.480401 (E_RNA)
where:
Base-Base interactions energy: -309.708
where: short stacking energy: -137.318
Base-Backbone interact. energy: -0.745
local terms energy: -158.026621
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -36.886
flat angles C4'-P-C4' energy: -36.732
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: -38.599
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: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -401.773056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.773056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.773056 (E_RNA)
where:
Base-Base interactions energy: -245.553
where: short stacking energy: -110.211
Base-Backbone interact. energy: -0.756
local terms energy: -155.464395
where:
bonds (distance) C4'-P energy: -32.060
bonds (distance) P-C4' energy: -31.620
flat angles C4'-P-C4' energy: -37.125
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -36.982
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: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -346.339216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.339216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.339216 (E_RNA)
where:
Base-Base interactions energy: -204.483
where: short stacking energy: -94.881
Base-Backbone interact. energy: -0.316
local terms energy: -141.540282
where:
bonds (distance) C4'-P energy: -35.869
bonds (distance) P-C4' energy: -33.814
flat angles C4'-P-C4' energy: -34.481
flat angles P-C4'-P energy: -13.896
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: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -185.789044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.789044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.789044 (E_RNA)
where:
Base-Base interactions energy: -61.600
where: short stacking energy: -42.528
Base-Backbone interact. energy: 1.338
local terms energy: -125.527457
where:
bonds (distance) C4'-P energy: -33.499
bonds (distance) P-C4' energy: -35.675
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -22.075
tors. eta vs tors. theta energy: -6.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -244.925336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.925336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.925336 (E_RNA)
where:
Base-Base interactions energy: -131.124
where: short stacking energy: -62.566
Base-Backbone interact. energy: -1.664
local terms energy: -112.137450
where:
bonds (distance) C4'-P energy: -33.486
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -24.583
flat angles P-C4'-P energy: -20.109
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -191.913207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.913207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.913207 (E_RNA)
where:
Base-Base interactions energy: -82.661
where: short stacking energy: -66.525
Base-Backbone interact. energy: -0.600
local terms energy: -108.651672
where:
bonds (distance) C4'-P energy: -25.209
bonds (distance) P-C4' energy: -27.777
flat angles C4'-P-C4' energy: -32.309
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -139.657108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.657108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.657108 (E_RNA)
where:
Base-Base interactions energy: -60.142
where: short stacking energy: -31.023
Base-Backbone interact. energy: 0.735
local terms energy: -80.250215
where:
bonds (distance) C4'-P energy: -34.825
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -1.495
tors. eta vs tors. theta energy: 10.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -562.864015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.864015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.864015 (E_RNA)
where:
Base-Base interactions energy: -387.126
where: short stacking energy: -154.090
Base-Backbone interact. energy: -1.347
local terms energy: -174.391319
where:
bonds (distance) C4'-P energy: -33.258
bonds (distance) P-C4' energy: -38.038
flat angles C4'-P-C4' energy: -41.724
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -42.599
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: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -528.451111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.451111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.451111 (E_RNA)
where:
Base-Base interactions energy: -347.373
where: short stacking energy: -145.255
Base-Backbone interact. energy: -1.182
local terms energy: -179.896411
where:
bonds (distance) C4'-P energy: -34.702
bonds (distance) P-C4' energy: -38.407
flat angles C4'-P-C4' energy: -38.205
flat angles P-C4'-P energy: -23.203
tors. eta vs tors. theta energy: -45.379
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: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -530.274036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.274036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.274036 (E_RNA)
where:
Base-Base interactions energy: -351.126
where: short stacking energy: -149.289
Base-Backbone interact. energy: -0.036
local terms energy: -179.112019
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -38.557
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: -48.721
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: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -486.880858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.880858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.880858 (E_RNA)
where:
Base-Base interactions energy: -321.422
where: short stacking energy: -135.712
Base-Backbone interact. energy: -0.617
local terms energy: -164.841855
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -34.827
flat angles C4'-P-C4' energy: -36.882
flat angles P-C4'-P energy: -22.786
tors. eta vs tors. theta energy: -39.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -404.744259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.744259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.744259 (E_RNA)
where:
Base-Base interactions energy: -252.386
where: short stacking energy: -110.216
Base-Backbone interact. energy: -0.202
local terms energy: -152.156058
where:
bonds (distance) C4'-P energy: -32.700
bonds (distance) P-C4' energy: -36.539
flat angles C4'-P-C4' energy: -26.339
flat angles P-C4'-P energy: -25.770
tors. eta vs tors. theta energy: -30.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -347.877536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.877536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.877536 (E_RNA)
where:
Base-Base interactions energy: -207.669
where: short stacking energy: -109.969
Base-Backbone interact. energy: -0.369
local terms energy: -139.839120
where:
bonds (distance) C4'-P energy: -27.896
bonds (distance) P-C4' energy: -32.946
flat angles C4'-P-C4' energy: -26.915
flat angles P-C4'-P energy: -22.804
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: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -186.801784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.801784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.801784 (E_RNA)
where:
Base-Base interactions energy: -69.539
where: short stacking energy: -52.018
Base-Backbone interact. energy: 0.231
local terms energy: -117.493019
where:
bonds (distance) C4'-P energy: -36.509
bonds (distance) P-C4' energy: -37.065
flat angles C4'-P-C4' energy: -28.474
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -234.826483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.826483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.826483 (E_RNA)
where:
Base-Base interactions energy: -109.442
where: short stacking energy: -59.931
Base-Backbone interact. energy: 0.797
local terms energy: -126.181820
where:
bonds (distance) C4'-P energy: -29.012
bonds (distance) P-C4' energy: -31.302
flat angles C4'-P-C4' energy: -28.309
flat angles P-C4'-P energy: -22.983
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -163.470235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.470235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.470235 (E_RNA)
where:
Base-Base interactions energy: -64.369
where: short stacking energy: -33.680
Base-Backbone interact. energy: -0.373
local terms energy: -98.728783
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -34.622
flat angles C4'-P-C4' energy: -26.488
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: 5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -157.268142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.268142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.268142 (E_RNA)
where:
Base-Base interactions energy: -62.743
where: short stacking energy: -48.679
Base-Backbone interact. energy: -0.029
local terms energy: -94.495783
where:
bonds (distance) C4'-P energy: -28.351
bonds (distance) P-C4' energy: -27.389
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: 1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -537.287939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.287939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.287939 (E_RNA)
where:
Base-Base interactions energy: -352.384
where: short stacking energy: -150.435
Base-Backbone interact. energy: -0.674
local terms energy: -184.230042
where:
bonds (distance) C4'-P energy: -38.284
bonds (distance) P-C4' energy: -38.261
flat angles C4'-P-C4' energy: -35.830
flat angles P-C4'-P energy: -22.460
tors. eta vs tors. theta energy: -49.395
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: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -542.867531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.867531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.867531 (E_RNA)
where:
Base-Base interactions energy: -381.350
where: short stacking energy: -144.897
Base-Backbone interact. energy: -1.311
local terms energy: -160.206380
where:
bonds (distance) C4'-P energy: -29.544
bonds (distance) P-C4' energy: -31.944
flat angles C4'-P-C4' energy: -31.011
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -46.664
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: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -532.502830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.502830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.502830 (E_RNA)
where:
Base-Base interactions energy: -368.437
where: short stacking energy: -143.567
Base-Backbone interact. energy: -0.288
local terms energy: -163.777944
where:
bonds (distance) C4'-P energy: -35.821
bonds (distance) P-C4' energy: -33.170
flat angles C4'-P-C4' energy: -33.759
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -44.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -492.792374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.792374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.792374 (E_RNA)
where:
Base-Base interactions energy: -320.605
where: short stacking energy: -139.936
Base-Backbone interact. energy: -0.192
local terms energy: -171.994923
where:
bonds (distance) C4'-P energy: -33.553
bonds (distance) P-C4' energy: -34.740
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -52.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -432.751791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.751791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.751791 (E_RNA)
where:
Base-Base interactions energy: -271.498
where: short stacking energy: -123.518
Base-Backbone interact. energy: -0.210
local terms energy: -161.043275
where:
bonds (distance) C4'-P energy: -37.049
bonds (distance) P-C4' energy: -32.516
flat angles C4'-P-C4' energy: -40.591
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -33.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -352.096960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.096960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.096960 (E_RNA)
where:
Base-Base interactions energy: -199.701
where: short stacking energy: -107.908
Base-Backbone interact. energy: -0.640
local terms energy: -151.756214
where:
bonds (distance) C4'-P energy: -29.856
bonds (distance) P-C4' energy: -30.778
flat angles C4'-P-C4' energy: -31.934
flat angles P-C4'-P energy: -26.283
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: 7, replica: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -237.649920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.649920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.649920 (E_RNA)
where:
Base-Base interactions energy: -118.109
where: short stacking energy: -56.275
Base-Backbone interact. energy: -0.150
local terms energy: -119.391552
where:
bonds (distance) C4'-P energy: -30.495
bonds (distance) P-C4' energy: -32.003
flat angles C4'-P-C4' energy: -35.089
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -182.811940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.811940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.811940 (E_RNA)
where:
Base-Base interactions energy: -64.381
where: short stacking energy: -35.306
Base-Backbone interact. energy: -1.205
local terms energy: -117.226136
where:
bonds (distance) C4'-P energy: -27.658
bonds (distance) P-C4' energy: -40.224
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -7.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -152.934729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.934729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.934729 (E_RNA)
where:
Base-Base interactions energy: -48.318
where: short stacking energy: -31.199
Base-Backbone interact. energy: -1.696
local terms energy: -102.921063
where:
bonds (distance) C4'-P energy: -32.629
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -23.658
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: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -175.930719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.930719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.930719 (E_RNA)
where:
Base-Base interactions energy: -61.377
where: short stacking energy: -40.703
Base-Backbone interact. energy: 0.835
local terms energy: -115.388076
where:
bonds (distance) C4'-P energy: -32.951
bonds (distance) P-C4' energy: -33.040
flat angles C4'-P-C4' energy: -26.566
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: -3.632
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: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -538.860838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.860838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.860838 (E_RNA)
where:
Base-Base interactions energy: -362.221
where: short stacking energy: -154.732
Base-Backbone interact. energy: -1.414
local terms energy: -175.225411
where:
bonds (distance) C4'-P energy: -32.046
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -35.503
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -47.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -544.216006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.216006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.216006 (E_RNA)
where:
Base-Base interactions energy: -372.022
where: short stacking energy: -144.995
Base-Backbone interact. energy: -0.329
local terms energy: -171.864989
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -37.012
flat angles C4'-P-C4' energy: -36.035
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -49.877
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: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -536.689681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.689681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.689681 (E_RNA)
where:
Base-Base interactions energy: -371.545
where: short stacking energy: -139.875
Base-Backbone interact. energy: 0.377
local terms energy: -165.522305
where:
bonds (distance) C4'-P energy: -30.380
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -38.277
flat angles P-C4'-P energy: -26.729
tors. eta vs tors. theta energy: -44.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -496.154065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.154065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.154065 (E_RNA)
where:
Base-Base interactions energy: -320.769
where: short stacking energy: -136.341
Base-Backbone interact. energy: -0.171
local terms energy: -175.214615
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -34.773
flat angles C4'-P-C4' energy: -38.382
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -48.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -418.885721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.885721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.885721 (E_RNA)
where:
Base-Base interactions energy: -255.811
where: short stacking energy: -118.484
Base-Backbone interact. energy: -0.374
local terms energy: -162.700933
where:
bonds (distance) C4'-P energy: -35.369
bonds (distance) P-C4' energy: -33.052
flat angles C4'-P-C4' energy: -35.328
flat angles P-C4'-P energy: -25.249
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: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -367.727314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.727314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.727314 (E_RNA)
where:
Base-Base interactions energy: -231.013
where: short stacking energy: -98.142
Base-Backbone interact. energy: -0.506
local terms energy: -136.208355
where:
bonds (distance) C4'-P energy: -31.752
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -30.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -225.089856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.089856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.089856 (E_RNA)
where:
Base-Base interactions energy: -103.301
where: short stacking energy: -65.119
Base-Backbone interact. energy: -0.093
local terms energy: -121.694931
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -36.834
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -22.153
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: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -180.341281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.341281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.341281 (E_RNA)
where:
Base-Base interactions energy: -73.330
where: short stacking energy: -53.279
Base-Backbone interact. energy: -0.436
local terms energy: -106.575313
where:
bonds (distance) C4'-P energy: -28.478
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -157.086663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.086663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.086663 (E_RNA)
where:
Base-Base interactions energy: -54.696
where: short stacking energy: -40.506
Base-Backbone interact. energy: -0.441
local terms energy: -101.949630
where:
bonds (distance) C4'-P energy: -28.126
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -24.575
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: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -143.294940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.294940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.294940 (E_RNA)
where:
Base-Base interactions energy: -40.823
where: short stacking energy: -40.823
Base-Backbone interact. energy: -0.214
local terms energy: -102.258021
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -28.470
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: 2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -551.647804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.647804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.647804 (E_RNA)
where:
Base-Base interactions energy: -377.807
where: short stacking energy: -151.633
Base-Backbone interact. energy: 0.137
local terms energy: -173.978087
where:
bonds (distance) C4'-P energy: -32.544
bonds (distance) P-C4' energy: -33.589
flat angles C4'-P-C4' energy: -36.943
flat angles P-C4'-P energy: -27.391
tors. eta vs tors. theta energy: -43.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -513.244476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.244476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.244476 (E_RNA)
where:
Base-Base interactions energy: -343.753
where: short stacking energy: -151.555
Base-Backbone interact. energy: -0.222
local terms energy: -169.269644
where:
bonds (distance) C4'-P energy: -30.678
bonds (distance) P-C4' energy: -32.592
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -28.740
tors. eta vs tors. theta energy: -37.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -525.462752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.462752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.462752 (E_RNA)
where:
Base-Base interactions energy: -356.338
where: short stacking energy: -143.404
Base-Backbone interact. energy: -2.568
local terms energy: -166.556701
where:
bonds (distance) C4'-P energy: -34.929
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -34.105
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: -43.106
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: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -452.527964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.527964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.527964 (E_RNA)
where:
Base-Base interactions energy: -296.536
where: short stacking energy: -140.416
Base-Backbone interact. energy: -0.493
local terms energy: -155.498799
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -38.726
flat angles P-C4'-P energy: -23.607
tors. eta vs tors. theta energy: -42.193
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: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -375.142194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.142194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.142194 (E_RNA)
where:
Base-Base interactions energy: -222.916
where: short stacking energy: -93.777
Base-Backbone interact. energy: 0.027
local terms energy: -152.252720
where:
bonds (distance) C4'-P energy: -34.120
bonds (distance) P-C4' energy: -33.409
flat angles C4'-P-C4' energy: -31.500
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -30.523
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: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -394.366641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.366641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.366641 (E_RNA)
where:
Base-Base interactions energy: -232.283
where: short stacking energy: -116.337
Base-Backbone interact. energy: -0.312
local terms energy: -161.771744
where:
bonds (distance) C4'-P energy: -36.890
bonds (distance) P-C4' energy: -36.096
flat angles C4'-P-C4' energy: -38.435
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -30.572
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: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -202.454982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.454982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.454982 (E_RNA)
where:
Base-Base interactions energy: -92.341
where: short stacking energy: -57.674
Base-Backbone interact. energy: -0.271
local terms energy: -109.842805
where:
bonds (distance) C4'-P energy: -30.184
bonds (distance) P-C4' energy: -30.643
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -172.065758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.065758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.065758 (E_RNA)
where:
Base-Base interactions energy: -85.135
where: short stacking energy: -57.471
Base-Backbone interact. energy: 1.774
local terms energy: -88.705075
where:
bonds (distance) C4'-P energy: -28.127
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -11.439
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: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -161.029107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.029107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.029107 (E_RNA)
where:
Base-Base interactions energy: -63.173
where: short stacking energy: -61.594
Base-Backbone interact. energy: -0.642
local terms energy: -97.214844
where:
bonds (distance) C4'-P energy: -28.156
bonds (distance) P-C4' energy: -28.049
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -142.520019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.520019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.520019 (E_RNA)
where:
Base-Base interactions energy: -44.662
where: short stacking energy: -34.461
Base-Backbone interact. energy: -0.007
local terms energy: -97.850987
where:
bonds (distance) C4'-P energy: -32.915
bonds (distance) P-C4' energy: -37.897
flat angles C4'-P-C4' energy: -32.090
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: 19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -549.969812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.969812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.969812 (E_RNA)
where:
Base-Base interactions energy: -371.344
where: short stacking energy: -158.445
Base-Backbone interact. energy: -0.156
local terms energy: -178.470170
where:
bonds (distance) C4'-P energy: -34.401
bonds (distance) P-C4' energy: -34.789
flat angles C4'-P-C4' energy: -37.688
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -47.525
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: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -531.179785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.179785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.179785 (E_RNA)
where:
Base-Base interactions energy: -362.471
where: short stacking energy: -143.977
Base-Backbone interact. energy: -0.249
local terms energy: -168.459807
where:
bonds (distance) C4'-P energy: -37.359
bonds (distance) P-C4' energy: -30.972
flat angles C4'-P-C4' energy: -33.496
flat angles P-C4'-P energy: -27.867
tors. eta vs tors. theta energy: -38.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -504.641261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.641261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.641261 (E_RNA)
where:
Base-Base interactions energy: -334.181
where: short stacking energy: -143.451
Base-Backbone interact. energy: -1.016
local terms energy: -169.444550
where:
bonds (distance) C4'-P energy: -24.016
bonds (distance) P-C4' energy: -33.858
flat angles C4'-P-C4' energy: -38.405
flat angles P-C4'-P energy: -28.432
tors. eta vs tors. theta energy: -44.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -437.562624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.562624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.562624 (E_RNA)
where:
Base-Base interactions energy: -274.282
where: short stacking energy: -123.876
Base-Backbone interact. energy: 0.707
local terms energy: -163.987285
where:
bonds (distance) C4'-P energy: -31.373
bonds (distance) P-C4' energy: -29.355
flat angles C4'-P-C4' energy: -35.749
flat angles P-C4'-P energy: -27.471
tors. eta vs tors. theta energy: -40.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -406.347466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.347466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.347466 (E_RNA)
where:
Base-Base interactions energy: -265.600
where: short stacking energy: -112.444
Base-Backbone interact. energy: 0.413
local terms energy: -141.160291
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -30.765
flat angles C4'-P-C4' energy: -35.808
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -37.660
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: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -381.699388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.699388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.699388 (E_RNA)
where:
Base-Base interactions energy: -224.424
where: short stacking energy: -100.044
Base-Backbone interact. energy: -0.169
local terms energy: -157.106743
where:
bonds (distance) C4'-P energy: -32.745
bonds (distance) P-C4' energy: -32.505
flat angles C4'-P-C4' energy: -37.492
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -30.115
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: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -210.956053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.956053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.956053 (E_RNA)
where:
Base-Base interactions energy: -103.439
where: short stacking energy: -53.136
Base-Backbone interact. energy: -0.356
local terms energy: -107.161473
where:
bonds (distance) C4'-P energy: -29.231
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -7.071
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: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -172.674849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.674849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.674849 (E_RNA)
where:
Base-Base interactions energy: -65.766
where: short stacking energy: -42.148
Base-Backbone interact. energy: -0.053
local terms energy: -106.855893
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -34.764
flat angles C4'-P-C4' energy: -34.849
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: 0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -167.939958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.939958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.939958 (E_RNA)
where:
Base-Base interactions energy: -74.559
where: short stacking energy: -36.600
Base-Backbone interact. energy: 1.101
local terms energy: -94.482086
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -32.762
flat angles C4'-P-C4' energy: -25.710
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: 6.280
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: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -142.911994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.911994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.911994 (E_RNA)
where:
Base-Base interactions energy: -57.584
where: short stacking energy: -38.065
Base-Backbone interact. energy: 0.790
local terms energy: -86.118713
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -29.213
flat angles C4'-P-C4' energy: -21.612
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: 7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/evo_s2-c00a5b89_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -552.680672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.680672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.680672 (E_RNA)
where:
Base-Base interactions energy: -372.014
where: short stacking energy: -142.415
Base-Backbone interact. energy: -2.002
local terms energy: -178.664109
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -39.232
flat angles P-C4'-P energy: -26.285
tors. eta vs tors. theta energy: -42.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -522.987855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.987855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.987855 (E_RNA)
where:
Base-Base interactions energy: -352.203
where: short stacking energy: -135.594
Base-Backbone interact. energy: -0.923
local terms energy: -169.861883
where:
bonds (distance) C4'-P energy: -37.542
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -38.082
flat angles P-C4'-P energy: -28.972
tors. eta vs tors. theta energy: -34.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -492.046092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.046092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.046092 (E_RNA)
where:
Base-Base interactions energy: -346.937
where: short stacking energy: -130.931
Base-Backbone interact. energy: 1.152
local terms energy: -146.260375
where:
bonds (distance) C4'-P energy: -31.116
bonds (distance) P-C4' energy: -26.292
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: -34.057
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: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -457.692434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.692434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.692434 (E_RNA)
where:
Base-Base interactions energy: -290.418
where: short stacking energy: -124.020
Base-Backbone interact. energy: -0.043
local terms energy: -167.231575
where:
bonds (distance) C4'-P energy: -30.388
bonds (distance) P-C4' energy: -32.512
flat angles C4'-P-C4' energy: -32.896
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -44.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -433.649831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.649831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.649831 (E_RNA)
where:
Base-Base interactions energy: -278.982
where: short stacking energy: -117.474
Base-Backbone interact. energy: -0.802
local terms energy: -153.865473
where:
bonds (distance) C4'-P energy: -35.483
bonds (distance) P-C4' energy: -29.725
flat angles C4'-P-C4' energy: -33.687
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -33.465
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: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -383.642335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.642335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.642335 (E_RNA)
where:
Base-Base interactions energy: -233.588
where: short stacking energy: -113.700
Base-Backbone interact. energy: 0.031
local terms energy: -150.085555
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -35.071
flat angles C4'-P-C4' energy: -28.236
flat angles P-C4'-P energy: -22.866
tors. eta vs tors. theta energy: -35.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -174.969390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.969390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.969390 (E_RNA)
where:
Base-Base interactions energy: -56.880
where: short stacking energy: -44.888
Base-Backbone interact. energy: -0.375
local terms energy: -117.713613
where:
bonds (distance) C4'-P energy: -33.701
bonds (distance) P-C4' energy: -29.831
flat angles C4'-P-C4' energy: -37.141
flat angles P-C4'-P energy: -21.433
tors. eta vs tors. theta energy: 4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -169.197611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.197611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.197611 (E_RNA)
where:
Base-Base interactions energy: -62.709
where: short stacking energy: -35.936
Base-Backbone interact. energy: -0.173
local terms energy: -106.316262
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -28.343
flat angles C4'-P-C4' energy: -30.276
flat angles P-C4'-P energy: -23.203
tors. eta vs tors. theta energy: 2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -154.103968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.103968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.103968 (E_RNA)
where:
Base-Base interactions energy: -53.956
where: short stacking energy: -37.293
Base-Backbone interact. energy: -0.412
local terms energy: -99.736341
where:
bonds (distance) C4'-P energy: -29.395
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -26.709
flat angles P-C4'-P energy: -20.058
tors. eta vs tors. theta energy: 1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -161.184475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.184475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.184475 (E_RNA)
where:
Base-Base interactions energy: -53.445
where: short stacking energy: -45.488
Base-Backbone interact. energy: -0.676
local terms energy: -107.064178
where:
bonds (distance) C4'-P energy: -26.656
bonds (distance) P-C4' energy: -38.660
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: 6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE