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/Tetraloop_10_steps-a02d61c9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-a02d61c9/inputs/seq.fa: 1
curr_seq: _UGCGAGAGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCGAGAGCG
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 10 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: 55
n_atoms_counter: 55
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-a02d61c9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-a02d61c9/inputs/seq.fa: 1
curr_seq: _UGCGAGAGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCGAGAGCG
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 10 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: 55
n_atoms_counter: 55
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-a02d61c9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-a02d61c9/inputs/seq.fa: 1
curr_seq: _UGCGAGAGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCGAGAGCG
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 10 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: 55
n_atoms_counter: 55
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-a02d61c9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-a02d61c9/inputs/seq.fa: 1
curr_seq: _UGCGAGAGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCGAGAGCG
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 10 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: 55
n_atoms_counter: 55
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-a02d61c9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-a02d61c9/inputs/seq.fa: 1
curr_seq: _UGCGAGAGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCGAGAGCG
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 10 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: 55
n_atoms_counter: 55
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-a02d61c9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-a02d61c9/inputs/seq.fa: 1
curr_seq: _UGCGAGAGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCGAGAGCG
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 10 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: 55
n_atoms_counter: 55
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-a02d61c9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-a02d61c9/inputs/seq.fa: 1
curr_seq: _UGCGAGAGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCGAGAGCG
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 10 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: 55
n_atoms_counter: 55
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-a02d61c9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-a02d61c9/inputs/seq.fa: 1
curr_seq: _UGCGAGAGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCGAGAGCG
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 10 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: 55
n_atoms_counter: 55
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-a02d61c9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-a02d61c9/inputs/seq.fa: 1
curr_seq: _UGCGAGAGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCGAGAGCG
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 10 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: 55
n_atoms_counter: 55
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-a02d61c9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-a02d61c9/inputs/seq.fa: 1
curr_seq: _UGCGAGAGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCGAGAGCG
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 10 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: 55
n_atoms_counter: 55
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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: -35.551219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.551219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.551219 (E_RNA)
where:
Base-Base interactions energy: -0.634
where: short stacking energy: -0.634
Base-Backbone interact. energy: -0.000
local terms energy: -34.916784
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -35.551219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.551219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.551219 (E_RNA)
where:
Base-Base interactions energy: -0.634
where: short stacking energy: -0.634
Base-Backbone interact. energy: -0.000
local terms energy: -34.916784
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -35.551219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.551219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.551219 (E_RNA)
where:
Base-Base interactions energy: -0.634
where: short stacking energy: -0.634
Base-Backbone interact. energy: -0.000
local terms energy: -34.916784
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -35.551219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.551219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.551219 (E_RNA)
where:
Base-Base interactions energy: -0.634
where: short stacking energy: -0.634
Base-Backbone interact. energy: -0.000
local terms energy: -34.916784
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -35.551219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.551219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.551219 (E_RNA)
where:
Base-Base interactions energy: -0.634
where: short stacking energy: -0.634
Base-Backbone interact. energy: -0.000
local terms energy: -34.916784
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -35.551219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.551219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.551219 (E_RNA)
where:
Base-Base interactions energy: -0.634
where: short stacking energy: -0.634
Base-Backbone interact. energy: -0.000
local terms energy: -34.916784
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -35.551219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.551219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.551219 (E_RNA)
where:
Base-Base interactions energy: -0.634
where: short stacking energy: -0.634
Base-Backbone interact. energy: -0.000
local terms energy: -34.916784
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -35.551219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.551219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.551219 (E_RNA)
where:
Base-Base interactions energy: -0.634
where: short stacking energy: -0.634
Base-Backbone interact. energy: -0.000
local terms energy: -34.916784
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -35.551219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.551219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.551219 (E_RNA)
where:
Base-Base interactions energy: -0.634
where: short stacking energy: -0.634
Base-Backbone interact. energy: -0.000
local terms energy: -34.916784
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -35.551219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.551219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.551219 (E_RNA)
where:
Base-Base interactions energy: -0.634
where: short stacking energy: -0.634
Base-Backbone interact. energy: -0.000
local terms energy: -34.916784
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -65.255080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.255080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.255080 (E_RNA)
where:
Base-Base interactions energy: -28.863
where: short stacking energy: -28.863
Base-Backbone interact. energy: -0.000
local terms energy: -36.391781
where:
bonds (distance) C4'-P energy: -8.164
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -7.857
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -77.124378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.124378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.124378 (E_RNA)
where:
Base-Base interactions energy: -42.113
where: short stacking energy: -27.860
Base-Backbone interact. energy: -0.091
local terms energy: -34.920176
where:
bonds (distance) C4'-P energy: -6.532
bonds (distance) P-C4' energy: -7.820
flat angles C4'-P-C4' energy: -6.711
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -81.327290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.327290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.327290 (E_RNA)
where:
Base-Base interactions energy: -46.813
where: short stacking energy: -25.548
Base-Backbone interact. energy: -0.173
local terms energy: -34.340693
where:
bonds (distance) C4'-P energy: -7.063
bonds (distance) P-C4' energy: -8.281
flat angles C4'-P-C4' energy: -5.864
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -79.224746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.224746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.224746 (E_RNA)
where:
Base-Base interactions energy: -47.365
where: short stacking energy: -22.200
Base-Backbone interact. energy: -0.082
local terms energy: -31.777792
where:
bonds (distance) C4'-P energy: -6.520
bonds (distance) P-C4' energy: -7.975
flat angles C4'-P-C4' energy: -5.932
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -54.187204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.187204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.187204 (E_RNA)
where:
Base-Base interactions energy: -21.834
where: short stacking energy: -20.947
Base-Backbone interact. energy: -0.023
local terms energy: -32.330179
where:
bonds (distance) C4'-P energy: -7.899
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -8.086
flat angles P-C4'-P energy: -3.648
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -60.365790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.365790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.365790 (E_RNA)
where:
Base-Base interactions energy: -34.128
where: short stacking energy: -18.675
Base-Backbone interact. energy: -0.037
local terms energy: -26.200161
where:
bonds (distance) C4'-P energy: -4.041
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -4.449
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -52.172081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.172081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.172081 (E_RNA)
where:
Base-Base interactions energy: -23.770
where: short stacking energy: -14.694
Base-Backbone interact. energy: -0.303
local terms energy: -28.098715
where:
bonds (distance) C4'-P energy: -6.710
bonds (distance) P-C4' energy: -7.463
flat angles C4'-P-C4' energy: -6.979
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -50.207795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.207795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.207795 (E_RNA)
where:
Base-Base interactions energy: -24.702
where: short stacking energy: -13.820
Base-Backbone interact. energy: -0.023
local terms energy: -25.483177
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -2.376
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -53.054756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.054756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.054756 (E_RNA)
where:
Base-Base interactions energy: -26.348
where: short stacking energy: -13.681
Base-Backbone interact. energy: -0.059
local terms energy: -26.648149
where:
bonds (distance) C4'-P energy: -4.114
bonds (distance) P-C4' energy: -8.179
flat angles C4'-P-C4' energy: -7.379
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -44.637860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.637860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.637860 (E_RNA)
where:
Base-Base interactions energy: -19.358
where: short stacking energy: -14.886
Base-Backbone interact. energy: -0.045
local terms energy: -25.234853
where:
bonds (distance) C4'-P energy: -6.359
bonds (distance) P-C4' energy: -8.017
flat angles C4'-P-C4' energy: -3.911
flat angles P-C4'-P energy: -3.132
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -81.554733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.554733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.554733 (E_RNA)
where:
Base-Base interactions energy: -42.946
where: short stacking energy: -30.393
Base-Backbone interact. energy: -0.584
local terms energy: -38.024741
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -8.321
flat angles P-C4'-P energy: -3.977
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -82.015337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.015337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.015337 (E_RNA)
where:
Base-Base interactions energy: -52.321
where: short stacking energy: -23.514
Base-Backbone interact. energy: -0.005
local terms energy: -29.689016
where:
bonds (distance) C4'-P energy: -6.131
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -3.878
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -6.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -78.638320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.638320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.638320 (E_RNA)
where:
Base-Base interactions energy: -43.365
where: short stacking energy: -28.617
Base-Backbone interact. energy: -0.027
local terms energy: -35.246655
where:
bonds (distance) C4'-P energy: -7.986
bonds (distance) P-C4' energy: -6.716
flat angles C4'-P-C4' energy: -5.717
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -76.500106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.500106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.500106 (E_RNA)
where:
Base-Base interactions energy: -43.737
where: short stacking energy: -24.376
Base-Backbone interact. energy: -0.000
local terms energy: -32.763032
where:
bonds (distance) C4'-P energy: -6.798
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -5.314
flat angles P-C4'-P energy: -3.104
tors. eta vs tors. theta energy: -7.723
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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -53.777317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.777317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.777317 (E_RNA)
where:
Base-Base interactions energy: -27.274
where: short stacking energy: -19.562
Base-Backbone interact. energy: -0.354
local terms energy: -26.149853
where:
bonds (distance) C4'-P energy: -7.506
bonds (distance) P-C4' energy: -7.079
flat angles C4'-P-C4' energy: -6.980
flat angles P-C4'-P energy: -6.607
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -59.506948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.506948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.506948 (E_RNA)
where:
Base-Base interactions energy: -28.288
where: short stacking energy: -10.884
Base-Backbone interact. energy: -0.108
local terms energy: -31.110956
where:
bonds (distance) C4'-P energy: -7.427
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -6.111
flat angles P-C4'-P energy: -5.041
tors. eta vs tors. theta energy: -3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -42.717734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.717734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.717734 (E_RNA)
where:
Base-Base interactions energy: -10.892
where: short stacking energy: -9.395
Base-Backbone interact. energy: -0.256
local terms energy: -31.570293
where:
bonds (distance) C4'-P energy: -8.735
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -7.136
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -47.771395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.771395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.771395 (E_RNA)
where:
Base-Base interactions energy: -13.872
where: short stacking energy: -13.872
Base-Backbone interact. energy: -0.001
local terms energy: -33.898731
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -8.592
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -51.932063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.932063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.932063 (E_RNA)
where:
Base-Base interactions energy: -19.691
where: short stacking energy: -19.691
Base-Backbone interact. energy: -0.366
local terms energy: -31.875632
where:
bonds (distance) C4'-P energy: -7.153
bonds (distance) P-C4' energy: -9.556
flat angles C4'-P-C4' energy: -5.166
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -44.738286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.738286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.738286 (E_RNA)
where:
Base-Base interactions energy: -17.381
where: short stacking energy: -17.381
Base-Backbone interact. energy: -0.001
local terms energy: -27.356720
where:
bonds (distance) C4'-P energy: -7.943
bonds (distance) P-C4' energy: -6.459
flat angles C4'-P-C4' energy: -5.197
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -75.399790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.399790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.399790 (E_RNA)
where:
Base-Base interactions energy: -41.068
where: short stacking energy: -19.367
Base-Backbone interact. energy: -0.681
local terms energy: -33.650948
where:
bonds (distance) C4'-P energy: -7.211
bonds (distance) P-C4' energy: -8.612
flat angles C4'-P-C4' energy: -7.559
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -61.060893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.060893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.060893 (E_RNA)
where:
Base-Base interactions energy: -26.698
where: short stacking energy: -29.020
Base-Backbone interact. energy: -0.028
local terms energy: -34.335113
where:
bonds (distance) C4'-P energy: -6.449
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -72.814184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.814184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.814184 (E_RNA)
where:
Base-Base interactions energy: -33.910
where: short stacking energy: -33.910
Base-Backbone interact. energy: -0.000
local terms energy: -38.904456
where:
bonds (distance) C4'-P energy: -5.970
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -64.286109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.286109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.286109 (E_RNA)
where:
Base-Base interactions energy: -34.290
where: short stacking energy: -21.764
Base-Backbone interact. energy: -0.623
local terms energy: -29.373378
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -6.974
flat angles C4'-P-C4' energy: -7.009
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -62.820265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.820265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.820265 (E_RNA)
where:
Base-Base interactions energy: -31.892
where: short stacking energy: -19.850
Base-Backbone interact. energy: -0.382
local terms energy: -30.546146
where:
bonds (distance) C4'-P energy: -6.755
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -7.221
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -61.833925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.833925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.833925 (E_RNA)
where:
Base-Base interactions energy: -28.113
where: short stacking energy: -26.259
Base-Backbone interact. energy: -0.009
local terms energy: -33.712666
where:
bonds (distance) C4'-P energy: -7.712
bonds (distance) P-C4' energy: -8.432
flat angles C4'-P-C4' energy: -6.032
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -45.759646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.759646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.759646 (E_RNA)
where:
Base-Base interactions energy: -16.704
where: short stacking energy: -16.704
Base-Backbone interact. energy: -0.006
local terms energy: -29.049210
where:
bonds (distance) C4'-P energy: -6.595
bonds (distance) P-C4' energy: -6.679
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -56.594746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.594746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.594746 (E_RNA)
where:
Base-Base interactions energy: -21.282
where: short stacking energy: -21.282
Base-Backbone interact. energy: -0.000
local terms energy: -35.312443
where:
bonds (distance) C4'-P energy: -5.324
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -4.984
tors. eta vs tors. theta energy: -6.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -44.733085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.733085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.733085 (E_RNA)
where:
Base-Base interactions energy: -19.380
where: short stacking energy: -19.248
Base-Backbone interact. energy: -0.026
local terms energy: -25.326849
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.812
flat angles C4'-P-C4' energy: -4.962
flat angles P-C4'-P energy: -4.978
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -45.194334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.194334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.194334 (E_RNA)
where:
Base-Base interactions energy: -16.156
where: short stacking energy: -6.527
Base-Backbone interact. energy: -0.481
local terms energy: -28.557744
where:
bonds (distance) C4'-P energy: -6.035
bonds (distance) P-C4' energy: -8.802
flat angles C4'-P-C4' energy: -6.055
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -86.464350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.464350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.464350 (E_RNA)
where:
Base-Base interactions energy: -51.647
where: short stacking energy: -22.032
Base-Backbone interact. energy: -0.534
local terms energy: -34.283622
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -1.818
tors. eta vs tors. theta energy: -6.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -69.538984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.538984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.538984 (E_RNA)
where:
Base-Base interactions energy: -30.876
where: short stacking energy: -30.876
Base-Backbone interact. energy: -0.000
local terms energy: -38.662648
where:
bonds (distance) C4'-P energy: -6.959
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -8.295
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: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -59.934386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.934386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.934386 (E_RNA)
where:
Base-Base interactions energy: -21.298
where: short stacking energy: -21.298
Base-Backbone interact. energy: -0.000
local terms energy: -38.635988
where:
bonds (distance) C4'-P energy: -6.635
bonds (distance) P-C4' energy: -8.535
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -81.893491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.893491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.893491 (E_RNA)
where:
Base-Base interactions energy: -53.542
where: short stacking energy: -18.735
Base-Backbone interact. energy: -0.031
local terms energy: -28.320353
where:
bonds (distance) C4'-P energy: -5.489
bonds (distance) P-C4' energy: -9.292
flat angles C4'-P-C4' energy: -6.388
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: -3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -56.690566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.690566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.690566 (E_RNA)
where:
Base-Base interactions energy: -24.763
where: short stacking energy: -24.763
Base-Backbone interact. energy: -0.002
local terms energy: -31.925571
where:
bonds (distance) C4'-P energy: -6.276
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -8.248
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -60.973694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.973694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.973694 (E_RNA)
where:
Base-Base interactions energy: -25.344
where: short stacking energy: -25.344
Base-Backbone interact. energy: -0.001
local terms energy: -35.629368
where:
bonds (distance) C4'-P energy: -7.472
bonds (distance) P-C4' energy: -9.578
flat angles C4'-P-C4' energy: -6.849
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -6.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -84.992698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.992698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.992698 (E_RNA)
where:
Base-Base interactions energy: -54.505
where: short stacking energy: -21.543
Base-Backbone interact. energy: -0.254
local terms energy: -30.233339
where:
bonds (distance) C4'-P energy: -4.827
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -46.668913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.668913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.668913 (E_RNA)
where:
Base-Base interactions energy: -21.075
where: short stacking energy: -21.075
Base-Backbone interact. energy: -0.011
local terms energy: -25.582632
where:
bonds (distance) C4'-P energy: -7.083
bonds (distance) P-C4' energy: -8.186
flat angles C4'-P-C4' energy: -5.129
flat angles P-C4'-P energy: -2.544
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: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -52.918469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.918469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.918469 (E_RNA)
where:
Base-Base interactions energy: -24.245
where: short stacking energy: -18.503
Base-Backbone interact. energy: -0.072
local terms energy: -28.602085
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -5.194
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -44.833560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.833560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.833560 (E_RNA)
where:
Base-Base interactions energy: -15.426
where: short stacking energy: -15.426
Base-Backbone interact. energy: -0.000
local terms energy: -29.407515
where:
bonds (distance) C4'-P energy: -7.730
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -5.514
flat angles P-C4'-P energy: -4.625
tors. eta vs tors. theta energy: -5.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -87.685179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.685179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.685179 (E_RNA)
where:
Base-Base interactions energy: -51.244
where: short stacking energy: -17.511
Base-Backbone interact. energy: -0.975
local terms energy: -35.465371
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -8.545
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -71.042204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.042204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.042204 (E_RNA)
where:
Base-Base interactions energy: -30.020
where: short stacking energy: -30.020
Base-Backbone interact. energy: -0.001
local terms energy: -41.021162
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -9.063
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -99.003274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.003274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.003274 (E_RNA)
where:
Base-Base interactions energy: -64.936
where: short stacking energy: -26.289
Base-Backbone interact. energy: -0.163
local terms energy: -33.904716
where:
bonds (distance) C4'-P energy: -6.565
bonds (distance) P-C4' energy: -8.407
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -3.028
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -69.418157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.418157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.418157 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -29.520
Base-Backbone interact. energy: -0.000
local terms energy: -36.828723
where:
bonds (distance) C4'-P energy: -7.157
bonds (distance) P-C4' energy: -8.514
flat angles C4'-P-C4' energy: -7.550
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -7.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -55.630884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.630884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.630884 (E_RNA)
where:
Base-Base interactions energy: -23.710
where: short stacking energy: -23.710
Base-Backbone interact. energy: -0.082
local terms energy: -31.838783
where:
bonds (distance) C4'-P energy: -6.781
bonds (distance) P-C4' energy: -7.051
flat angles C4'-P-C4' energy: -6.799
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -56.620316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.620316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.620316 (E_RNA)
where:
Base-Base interactions energy: -27.943
where: short stacking energy: -27.943
Base-Backbone interact. energy: -0.000
local terms energy: -28.676698
where:
bonds (distance) C4'-P energy: -4.960
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -6.946
flat angles P-C4'-P energy: -0.861
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -43.289960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.289960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.289960 (E_RNA)
where:
Base-Base interactions energy: -18.359
where: short stacking energy: -18.359
Base-Backbone interact. energy: 0.634
local terms energy: -25.565051
where:
bonds (distance) C4'-P energy: -6.798
bonds (distance) P-C4' energy: -6.939
flat angles C4'-P-C4' energy: -6.210
flat angles P-C4'-P energy: -1.812
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -87.037632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.037632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.037632 (E_RNA)
where:
Base-Base interactions energy: -56.750
where: short stacking energy: -24.535
Base-Backbone interact. energy: -0.174
local terms energy: -30.113011
where:
bonds (distance) C4'-P energy: -4.351
bonds (distance) P-C4' energy: -7.861
flat angles C4'-P-C4' energy: -8.139
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -43.647838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.647838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.647838 (E_RNA)
where:
Base-Base interactions energy: -20.659
where: short stacking energy: -19.454
Base-Backbone interact. energy: 0.283
local terms energy: -23.271819
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -5.445
flat angles C4'-P-C4' energy: -6.121
flat angles P-C4'-P energy: -2.821
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: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -49.398847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.398847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.398847 (E_RNA)
where:
Base-Base interactions energy: -16.818
where: short stacking energy: -16.818
Base-Backbone interact. energy: -0.002
local terms energy: -32.579051
where:
bonds (distance) C4'-P energy: -6.627
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -3.651
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -83.036087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.036087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.036087 (E_RNA)
where:
Base-Base interactions energy: -47.095
where: short stacking energy: -28.244
Base-Backbone interact. energy: -0.562
local terms energy: -35.378922
where:
bonds (distance) C4'-P energy: -6.069
bonds (distance) P-C4' energy: -8.376
flat angles C4'-P-C4' energy: -8.022
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -103.985022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.985022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.985022 (E_RNA)
where:
Base-Base interactions energy: -70.781
where: short stacking energy: -30.570
Base-Backbone interact. energy: -0.332
local terms energy: -32.871922
where:
bonds (distance) C4'-P energy: -7.092
bonds (distance) P-C4' energy: -5.309
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -61.533266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.533266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.533266 (E_RNA)
where:
Base-Base interactions energy: -26.939
where: short stacking energy: -26.939
Base-Backbone interact. energy: -0.002
local terms energy: -34.592295
where:
bonds (distance) C4'-P energy: -7.082
bonds (distance) P-C4' energy: -6.818
flat angles C4'-P-C4' energy: -7.228
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -66.388657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.388657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.388657 (E_RNA)
where:
Base-Base interactions energy: -34.256
where: short stacking energy: -15.231
Base-Backbone interact. energy: -0.043
local terms energy: -32.089667
where:
bonds (distance) C4'-P energy: -8.520
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -7.602
flat angles P-C4'-P energy: -6.738
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: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -54.194150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.194150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.194150 (E_RNA)
where:
Base-Base interactions energy: -21.379
where: short stacking energy: -21.379
Base-Backbone interact. energy: 0.409
local terms energy: -33.224121
where:
bonds (distance) C4'-P energy: -6.921
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -6.476
flat angles P-C4'-P energy: -4.270
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: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -76.449835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.449835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.449835 (E_RNA)
where:
Base-Base interactions energy: -45.986
where: short stacking energy: -21.365
Base-Backbone interact. energy: -0.026
local terms energy: -30.438283
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -8.211
flat angles C4'-P-C4' energy: -7.824
flat angles P-C4'-P energy: -4.048
tors. eta vs tors. theta energy: -5.450
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: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -50.353084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.353084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.353084 (E_RNA)
where:
Base-Base interactions energy: -20.453
where: short stacking energy: -20.453
Base-Backbone interact. energy: -0.002
local terms energy: -29.898158
where:
bonds (distance) C4'-P energy: -7.456
bonds (distance) P-C4' energy: -5.665
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -6.159
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: 8, replica: 4
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -80.804778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.804778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.804778 (E_RNA)
where:
Base-Base interactions energy: -51.150
where: short stacking energy: -20.666
Base-Backbone interact. energy: -0.553
local terms energy: -29.102008
where:
bonds (distance) C4'-P energy: -7.423
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -48.487756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.487756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.487756 (E_RNA)
where:
Base-Base interactions energy: -20.391
where: short stacking energy: -20.391
Base-Backbone interact. energy: -0.097
local terms energy: -27.999806
where:
bonds (distance) C4'-P energy: -3.874
bonds (distance) P-C4' energy: -7.925
flat angles C4'-P-C4' energy: -6.750
flat angles P-C4'-P energy: -2.612
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -43.201240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.201240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.201240 (E_RNA)
where:
Base-Base interactions energy: -16.651
where: short stacking energy: -16.651
Base-Backbone interact. energy: 0.410
local terms energy: -26.960924
where:
bonds (distance) C4'-P energy: -7.443
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -5.870
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -106.443553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.443553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.443553 (E_RNA)
where:
Base-Base interactions energy: -68.838
where: short stacking energy: -27.217
Base-Backbone interact. energy: -0.860
local terms energy: -36.745840
where:
bonds (distance) C4'-P energy: -7.550
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -8.369
flat angles P-C4'-P energy: -5.040
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -71.854324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.854324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.854324 (E_RNA)
where:
Base-Base interactions energy: -39.959
where: short stacking energy: -20.708
Base-Backbone interact. energy: -0.060
local terms energy: -31.835232
where:
bonds (distance) C4'-P energy: -5.423
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -7.637
flat angles P-C4'-P energy: -5.918
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: 3, replica: 9
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -78.268776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.268776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.268776 (E_RNA)
where:
Base-Base interactions energy: -41.929
where: short stacking energy: -22.839
Base-Backbone interact. energy: -0.053
local terms energy: -36.286370
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -9.124
flat angles C4'-P-C4' energy: -5.819
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -6.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -57.324176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.324176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.324176 (E_RNA)
where:
Base-Base interactions energy: -23.954
where: short stacking energy: -23.954
Base-Backbone interact. energy: -0.015
local terms energy: -33.355194
where:
bonds (distance) C4'-P energy: -5.324
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -6.350
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -86.325679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.325679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.325679 (E_RNA)
where:
Base-Base interactions energy: -57.865
where: short stacking energy: -22.224
Base-Backbone interact. energy: -0.616
local terms energy: -27.844536
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -5.885
flat angles P-C4'-P energy: -1.031
tors. eta vs tors. theta energy: -3.400
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: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -51.908842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.908842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.908842 (E_RNA)
where:
Base-Base interactions energy: -21.432
where: short stacking energy: -21.432
Base-Backbone interact. energy: -0.074
local terms energy: -30.402360
where:
bonds (distance) C4'-P energy: -6.164
bonds (distance) P-C4' energy: -8.594
flat angles C4'-P-C4' energy: -8.173
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -97.955858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.955858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.955858 (E_RNA)
where:
Base-Base interactions energy: -67.184
where: short stacking energy: -24.133
Base-Backbone interact. energy: -0.789
local terms energy: -29.983224
where:
bonds (distance) C4'-P energy: -6.826
bonds (distance) P-C4' energy: -5.652
flat angles C4'-P-C4' energy: -5.712
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -6.492
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: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -50.189525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.189525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.189525 (E_RNA)
where:
Base-Base interactions energy: -27.557
where: short stacking energy: -13.593
Base-Backbone interact. energy: -0.002
local terms energy: -22.630194
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -3.601
flat angles P-C4'-P energy: -3.183
tors. eta vs tors. theta energy: -0.000
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: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -43.196601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.196601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.196601 (E_RNA)
where:
Base-Base interactions energy: -13.124
where: short stacking energy: -13.124
Base-Backbone interact. energy: -0.080
local terms energy: -29.992367
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -6.713
flat angles C4'-P-C4' energy: -7.547
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -47.997559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.997559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.997559 (E_RNA)
where:
Base-Base interactions energy: -14.261
where: short stacking energy: -14.261
Base-Backbone interact. energy: -0.000
local terms energy: -33.736263
where:
bonds (distance) C4'-P energy: -7.196
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -7.630
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -106.625518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.625518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.625518 (E_RNA)
where:
Base-Base interactions energy: -70.113
where: short stacking energy: -25.253
Base-Backbone interact. energy: -0.862
local terms energy: -35.651311
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -8.898
flat angles C4'-P-C4' energy: -6.561
flat angles P-C4'-P energy: -4.595
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: 2, replica: 9
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -77.310316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.310316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.310316 (E_RNA)
where:
Base-Base interactions energy: -42.042
where: short stacking energy: -34.707
Base-Backbone interact. energy: -0.000
local terms energy: -35.267840
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -5.492
flat angles C4'-P-C4' energy: -5.837
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -9.241
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: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -69.249924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.249924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.249924 (E_RNA)
where:
Base-Base interactions energy: -32.680
where: short stacking energy: -32.680
Base-Backbone interact. energy: -0.000
local terms energy: -36.569920
where:
bonds (distance) C4'-P energy: -4.955
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -10.928
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: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -102.451378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.451378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.451378 (E_RNA)
where:
Base-Base interactions energy: -66.498
where: short stacking energy: -30.421
Base-Backbone interact. energy: -0.472
local terms energy: -35.482218
where:
bonds (distance) C4'-P energy: -6.434
bonds (distance) P-C4' energy: -7.960
flat angles C4'-P-C4' energy: -7.292
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -7.538
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: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -56.689685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.689685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.689685 (E_RNA)
where:
Base-Base interactions energy: -22.821
where: short stacking energy: -22.821
Base-Backbone interact. energy: -0.009
local terms energy: -33.859739
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -6.354
flat angles C4'-P-C4' energy: -7.790
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -88.760989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.760989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.760989 (E_RNA)
where:
Base-Base interactions energy: -62.791
where: short stacking energy: -21.685
Base-Backbone interact. energy: -0.089
local terms energy: -25.880778
where:
bonds (distance) C4'-P energy: -7.162
bonds (distance) P-C4' energy: -5.970
flat angles C4'-P-C4' energy: -6.701
flat angles P-C4'-P energy: -1.867
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -59.811259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.811259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.811259 (E_RNA)
where:
Base-Base interactions energy: -28.591
where: short stacking energy: -23.426
Base-Backbone interact. energy: -0.225
local terms energy: -30.995548
where:
bonds (distance) C4'-P energy: -7.253
bonds (distance) P-C4' energy: -6.026
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -47.985410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.985410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.985410 (E_RNA)
where:
Base-Base interactions energy: -21.592
where: short stacking energy: -21.592
Base-Backbone interact. energy: -0.000
local terms energy: -26.393474
where:
bonds (distance) C4'-P energy: -8.255
bonds (distance) P-C4' energy: -3.498
flat angles C4'-P-C4' energy: -7.518
flat angles P-C4'-P energy: -2.854
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -45.236718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.236718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.236718 (E_RNA)
where:
Base-Base interactions energy: -18.396
where: short stacking energy: -16.271
Base-Backbone interact. energy: 0.398
local terms energy: -27.238761
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -8.013
flat angles C4'-P-C4' energy: -6.285
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -46.845998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.845998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.845998 (E_RNA)
where:
Base-Base interactions energy: -20.365
where: short stacking energy: -11.142
Base-Backbone interact. energy: 0.197
local terms energy: -26.678255
where:
bonds (distance) C4'-P energy: -6.318
bonds (distance) P-C4' energy: -9.131
flat angles C4'-P-C4' energy: -8.359
flat angles P-C4'-P energy: -2.115
tors. eta vs tors. theta energy: -0.756
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: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -102.086986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.086986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.086986 (E_RNA)
where:
Base-Base interactions energy: -63.689
where: short stacking energy: -27.008
Base-Backbone interact. energy: -0.300
local terms energy: -38.097873
where:
bonds (distance) C4'-P energy: -7.554
bonds (distance) P-C4' energy: -8.422
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -73.427653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.427653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.427653 (E_RNA)
where:
Base-Base interactions energy: -36.848
where: short stacking energy: -32.648
Base-Backbone interact. energy: -0.075
local terms energy: -36.504472
where:
bonds (distance) C4'-P energy: -6.975
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -7.900
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -7.653
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: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -101.322389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.322389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.322389 (E_RNA)
where:
Base-Base interactions energy: -67.481
where: short stacking energy: -27.831
Base-Backbone interact. energy: -1.577
local terms energy: -32.264906
where:
bonds (distance) C4'-P energy: -7.381
bonds (distance) P-C4' energy: -9.081
flat angles C4'-P-C4' energy: -8.465
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -62.277756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.277756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.277756 (E_RNA)
where:
Base-Base interactions energy: -24.479
where: short stacking energy: -24.479
Base-Backbone interact. energy: -0.003
local terms energy: -37.795199
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -8.214
flat angles C4'-P-C4' energy: -8.463
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -94.253612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.253612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.253612 (E_RNA)
where:
Base-Base interactions energy: -64.522
where: short stacking energy: -24.979
Base-Backbone interact. energy: -0.000
local terms energy: -29.731011
where:
bonds (distance) C4'-P energy: -7.968
bonds (distance) P-C4' energy: -8.214
flat angles C4'-P-C4' energy: -4.753
flat angles P-C4'-P energy: -3.390
tors. eta vs tors. theta energy: -5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -90.679616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.679616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.679616 (E_RNA)
where:
Base-Base interactions energy: -55.350
where: short stacking energy: -19.683
Base-Backbone interact. energy: -0.186
local terms energy: -35.142726
where:
bonds (distance) C4'-P energy: -6.727
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -3.732
tors. eta vs tors. theta energy: -6.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -50.249769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.249769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.249769 (E_RNA)
where:
Base-Base interactions energy: -20.038
where: short stacking energy: -20.038
Base-Backbone interact. energy: -0.004
local terms energy: -30.207705
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -9.069
flat angles C4'-P-C4' energy: -2.003
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -49.203460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.203460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.203460 (E_RNA)
where:
Base-Base interactions energy: -20.278
where: short stacking energy: -7.831
Base-Backbone interact. energy: -1.453
local terms energy: -27.472203
where:
bonds (distance) C4'-P energy: -6.359
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -52.806397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.806397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.806397 (E_RNA)
where:
Base-Base interactions energy: -25.555
where: short stacking energy: -22.026
Base-Backbone interact. energy: -0.006
local terms energy: -27.245679
where:
bonds (distance) C4'-P energy: -6.263
bonds (distance) P-C4' energy: -6.383
flat angles C4'-P-C4' energy: -6.648
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -41.556062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.556062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.556062 (E_RNA)
where:
Base-Base interactions energy: -26.924
where: short stacking energy: -14.135
Base-Backbone interact. energy: -0.072
local terms energy: -14.560251
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -6.085
flat angles C4'-P-C4' energy: -2.316
flat angles P-C4'-P energy: -1.483
tors. eta vs tors. theta energy: 0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -103.989582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.989582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.989582 (E_RNA)
where:
Base-Base interactions energy: -69.315
where: short stacking energy: -30.013
Base-Backbone interact. energy: -0.048
local terms energy: -34.626092
where:
bonds (distance) C4'-P energy: -7.190
bonds (distance) P-C4' energy: -8.376
flat angles C4'-P-C4' energy: -7.872
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -6.005
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: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -107.066327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.066327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.066327 (E_RNA)
where:
Base-Base interactions energy: -75.542
where: short stacking energy: -31.673
Base-Backbone interact. energy: -0.913
local terms energy: -30.611767
where:
bonds (distance) C4'-P energy: -7.446
bonds (distance) P-C4' energy: -5.831
flat angles C4'-P-C4' energy: -4.147
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -7.702
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: 3, replica: 9
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -63.512480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.512480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.512480 (E_RNA)
where:
Base-Base interactions energy: -24.550
where: short stacking energy: -24.550
Base-Backbone interact. energy: -0.000
local terms energy: -38.961892
where:
bonds (distance) C4'-P energy: -7.402
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -8.190
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -101.082452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.082452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.082452 (E_RNA)
where:
Base-Base interactions energy: -68.305
where: short stacking energy: -27.499
Base-Backbone interact. energy: -0.032
local terms energy: -32.745644
where:
bonds (distance) C4'-P energy: -7.382
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -7.701
flat angles P-C4'-P energy: -4.758
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: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -56.242775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.242775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.242775 (E_RNA)
where:
Base-Base interactions energy: -25.277
where: short stacking energy: -25.277
Base-Backbone interact. energy: -0.096
local terms energy: -30.869527
where:
bonds (distance) C4'-P energy: -7.571
bonds (distance) P-C4' energy: -7.358
flat angles C4'-P-C4' energy: -4.844
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -5.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -54.248100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.248100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.248100 (E_RNA)
where:
Base-Base interactions energy: -21.137
where: short stacking energy: -21.137
Base-Backbone interact. energy: -0.189
local terms energy: -32.922150
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -8.422
flat angles C4'-P-C4' energy: -5.864
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -91.614678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.614678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.614678 (E_RNA)
where:
Base-Base interactions energy: -60.751
where: short stacking energy: -26.704
Base-Backbone interact. energy: -0.123
local terms energy: -30.740360
where:
bonds (distance) C4'-P energy: -7.373
bonds (distance) P-C4' energy: -4.407
flat angles C4'-P-C4' energy: -8.374
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -57.106273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.106273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.106273 (E_RNA)
where:
Base-Base interactions energy: -26.692
where: short stacking energy: -26.692
Base-Backbone interact. energy: -0.026
local terms energy: -30.388063
where:
bonds (distance) C4'-P energy: -5.447
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -7.111
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -5.814
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: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -43.357232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.357232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.357232 (E_RNA)
where:
Base-Base interactions energy: -14.196
where: short stacking energy: -12.442
Base-Backbone interact. energy: -0.182
local terms energy: -28.978523
where:
bonds (distance) C4'-P energy: -8.371
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -7.159
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: 0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -46.275422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.275422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.275422 (E_RNA)
where:
Base-Base interactions energy: -24.831
where: short stacking energy: -3.553
Base-Backbone interact. energy: -0.019
local terms energy: -21.425686
where:
bonds (distance) C4'-P energy: -4.455
bonds (distance) P-C4' energy: -6.421
flat angles C4'-P-C4' energy: -6.938
flat angles P-C4'-P energy: -2.251
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -106.192834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.192834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.192834 (E_RNA)
where:
Base-Base interactions energy: -67.629
where: short stacking energy: -33.800
Base-Backbone interact. energy: -0.002
local terms energy: -38.562230
where:
bonds (distance) C4'-P energy: -7.580
bonds (distance) P-C4' energy: -9.101
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -6.508
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: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -105.319538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.319538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.319538 (E_RNA)
where:
Base-Base interactions energy: -65.863
where: short stacking energy: -27.065
Base-Backbone interact. energy: -1.577
local terms energy: -37.879279
where:
bonds (distance) C4'-P energy: -7.170
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -7.217
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -105.578773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.578773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.578773 (E_RNA)
where:
Base-Base interactions energy: -72.949
where: short stacking energy: -27.547
Base-Backbone interact. energy: -0.126
local terms energy: -32.504119
where:
bonds (distance) C4'-P energy: -7.832
bonds (distance) P-C4' energy: -6.848
flat angles C4'-P-C4' energy: -6.315
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -6.142
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: 4, replica: 9
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -64.653213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.653213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.653213 (E_RNA)
where:
Base-Base interactions energy: -23.932
where: short stacking energy: -23.932
Base-Backbone interact. energy: -0.000
local terms energy: -40.720727
where:
bonds (distance) C4'-P energy: -8.218
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -8.251
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -8.434
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: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -51.671961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.671961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.671961 (E_RNA)
where:
Base-Base interactions energy: -24.263
where: short stacking energy: -21.765
Base-Backbone interact. energy: -0.011
local terms energy: -27.398504
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -4.953
flat angles P-C4'-P energy: -1.512
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -55.322606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.322606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.322606 (E_RNA)
where:
Base-Base interactions energy: -31.184
where: short stacking energy: -21.455
Base-Backbone interact. energy: -0.001
local terms energy: -24.137601
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -4.462
flat angles P-C4'-P energy: -3.368
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: 7, replica: 2
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -98.802407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.802407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.802407 (E_RNA)
where:
Base-Base interactions energy: -64.328
where: short stacking energy: -28.239
Base-Backbone interact. energy: -0.252
local terms energy: -34.222472
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -8.087
flat angles C4'-P-C4' energy: -8.782
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -47.181629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.181629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.181629 (E_RNA)
where:
Base-Base interactions energy: -16.424
where: short stacking energy: -16.046
Base-Backbone interact. energy: -0.000
local terms energy: -30.757769
where:
bonds (distance) C4'-P energy: -6.184
bonds (distance) P-C4' energy: -5.653
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -81.387920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.387920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.387920 (E_RNA)
where:
Base-Base interactions energy: -51.480
where: short stacking energy: -26.217
Base-Backbone interact. energy: -0.035
local terms energy: -29.873108
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -3.951
flat angles C4'-P-C4' energy: -8.258
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -4.733
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: 12
Temperature: 1.350000
Total energy: -41.144452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.144452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.144452 (E_RNA)
where:
Base-Base interactions energy: -19.053
where: short stacking energy: -3.589
Base-Backbone interact. energy: 0.385
local terms energy: -22.476392
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -7.355
flat angles C4'-P-C4' energy: -6.054
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: 1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -108.170970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.170970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.170970 (E_RNA)
where:
Base-Base interactions energy: -68.621
where: short stacking energy: -29.918
Base-Backbone interact. energy: -1.167
local terms energy: -38.383249
where:
bonds (distance) C4'-P energy: -8.520
bonds (distance) P-C4' energy: -8.798
flat angles C4'-P-C4' energy: -6.623
flat angles P-C4'-P energy: -5.743
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: 2, replica: 7
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -107.184016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.184016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.184016 (E_RNA)
where:
Base-Base interactions energy: -69.911
where: short stacking energy: -29.190
Base-Backbone interact. energy: 0.030
local terms energy: -37.302441
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -8.633
flat angles C4'-P-C4' energy: -7.253
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -7.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -100.840662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.840662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.840662 (E_RNA)
where:
Base-Base interactions energy: -69.424
where: short stacking energy: -30.353
Base-Backbone interact. energy: -1.115
local terms energy: -30.301575
where:
bonds (distance) C4'-P energy: -4.860
bonds (distance) P-C4' energy: -8.609
flat angles C4'-P-C4' energy: -7.825
flat angles P-C4'-P energy: -2.883
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -61.887379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.887379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.887379 (E_RNA)
where:
Base-Base interactions energy: -35.047
where: short stacking energy: -26.632
Base-Backbone interact. energy: -0.141
local terms energy: -26.699740
where:
bonds (distance) C4'-P energy: -4.230
bonds (distance) P-C4' energy: -7.551
flat angles C4'-P-C4' energy: -7.513
flat angles P-C4'-P energy: -3.053
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -54.943783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.943783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.943783 (E_RNA)
where:
Base-Base interactions energy: -28.814
where: short stacking energy: -20.499
Base-Backbone interact. energy: -0.014
local terms energy: -26.116383
where:
bonds (distance) C4'-P energy: -4.790
bonds (distance) P-C4' energy: -6.973
flat angles C4'-P-C4' energy: -6.529
flat angles P-C4'-P energy: -4.334
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: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -97.298341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.298341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.298341 (E_RNA)
where:
Base-Base interactions energy: -64.598
where: short stacking energy: -25.659
Base-Backbone interact. energy: -0.001
local terms energy: -32.699066
where:
bonds (distance) C4'-P energy: -5.183
bonds (distance) P-C4' energy: -5.892
flat angles C4'-P-C4' energy: -9.072
flat angles P-C4'-P energy: -5.844
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: 7, replica: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -47.821529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.821529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.821529 (E_RNA)
where:
Base-Base interactions energy: -20.509
where: short stacking energy: -19.450
Base-Backbone interact. energy: 0.060
local terms energy: -27.372172
where:
bonds (distance) C4'-P energy: -5.741
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -6.334
flat angles P-C4'-P energy: -3.935
tors. eta vs tors. theta energy: -4.293
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: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -81.101766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.101766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.101766 (E_RNA)
where:
Base-Base interactions energy: -52.275
where: short stacking energy: -28.068
Base-Backbone interact. energy: -0.004
local terms energy: -28.823277
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -7.796
flat angles C4'-P-C4' energy: -5.234
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -3.943
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: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -42.450438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.450438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.450438 (E_RNA)
where:
Base-Base interactions energy: -16.544
where: short stacking energy: -11.339
Base-Backbone interact. energy: -0.072
local terms energy: -25.835113
where:
bonds (distance) C4'-P energy: -5.767
bonds (distance) P-C4' energy: -7.981
flat angles C4'-P-C4' energy: -6.421
flat angles P-C4'-P energy: -3.164
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -45.215903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.215903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.215903 (E_RNA)
where:
Base-Base interactions energy: -15.930
where: short stacking energy: -15.930
Base-Backbone interact. energy: -0.049
local terms energy: -29.236425
where:
bonds (distance) C4'-P energy: -8.309
bonds (distance) P-C4' energy: -5.336
flat angles C4'-P-C4' energy: -7.862
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -2.761
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: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -110.071365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.071365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.071365 (E_RNA)
where:
Base-Base interactions energy: -69.943
where: short stacking energy: -30.212
Base-Backbone interact. energy: -2.202
local terms energy: -37.926803
where:
bonds (distance) C4'-P energy: -6.292
bonds (distance) P-C4' energy: -8.454
flat angles C4'-P-C4' energy: -7.632
flat angles P-C4'-P energy: -6.239
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: 2, replica: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -107.833529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.833529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.833529 (E_RNA)
where:
Base-Base interactions energy: -73.032
where: short stacking energy: -28.848
Base-Backbone interact. energy: -0.195
local terms energy: -34.606026
where:
bonds (distance) C4'-P energy: -7.224
bonds (distance) P-C4' energy: -7.340
flat angles C4'-P-C4' energy: -8.272
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -8.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -101.292815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.292815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.292815 (E_RNA)
where:
Base-Base interactions energy: -68.319
where: short stacking energy: -27.693
Base-Backbone interact. energy: -0.256
local terms energy: -32.717878
where:
bonds (distance) C4'-P energy: -6.032
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -7.369
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -56.742331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.742331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.742331 (E_RNA)
where:
Base-Base interactions energy: -21.006
where: short stacking energy: -21.006
Base-Backbone interact. energy: -0.000
local terms energy: -35.736648
where:
bonds (distance) C4'-P energy: -8.325
bonds (distance) P-C4' energy: -8.615
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -4.928
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: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -101.432903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.432903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.432903 (E_RNA)
where:
Base-Base interactions energy: -68.107
where: short stacking energy: -25.410
Base-Backbone interact. energy: -1.812
local terms energy: -31.513242
where:
bonds (distance) C4'-P energy: -6.222
bonds (distance) P-C4' energy: -6.558
flat angles C4'-P-C4' energy: -6.737
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -57.554964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.554964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.554964 (E_RNA)
where:
Base-Base interactions energy: -30.248
where: short stacking energy: -20.305
Base-Backbone interact. energy: -0.126
local terms energy: -27.180680
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -6.973
flat angles C4'-P-C4' energy: -4.439
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -57.106541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.106541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.106541 (E_RNA)
where:
Base-Base interactions energy: -28.864
where: short stacking energy: -19.912
Base-Backbone interact. energy: -0.000
local terms energy: -28.242304
where:
bonds (distance) C4'-P energy: -6.710
bonds (distance) P-C4' energy: -8.140
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -0.394
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -90.455304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.455304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.455304 (E_RNA)
where:
Base-Base interactions energy: -57.402
where: short stacking energy: -22.752
Base-Backbone interact. energy: -1.302
local terms energy: -31.752022
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -5.045
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -57.543354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.543354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.543354 (E_RNA)
where:
Base-Base interactions energy: -30.903
where: short stacking energy: -22.042
Base-Backbone interact. energy: -0.114
local terms energy: -26.526290
where:
bonds (distance) C4'-P energy: -5.539
bonds (distance) P-C4' energy: -8.401
flat angles C4'-P-C4' energy: -3.608
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -48.778377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.778377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.778377 (E_RNA)
where:
Base-Base interactions energy: -24.259
where: short stacking energy: -10.460
Base-Backbone interact. energy: -0.301
local terms energy: -24.217822
where:
bonds (distance) C4'-P energy: -6.229
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -5.592
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -96.170053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.170053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.170053 (E_RNA)
where:
Base-Base interactions energy: -63.949
where: short stacking energy: -28.322
Base-Backbone interact. energy: -0.959
local terms energy: -31.261430
where:
bonds (distance) C4'-P energy: -7.684
bonds (distance) P-C4' energy: -6.692
flat angles C4'-P-C4' energy: -7.472
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -107.882542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.882542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.882542 (E_RNA)
where:
Base-Base interactions energy: -71.722
where: short stacking energy: -31.246
Base-Backbone interact. energy: -1.366
local terms energy: -34.794654
where:
bonds (distance) C4'-P energy: -8.549
bonds (distance) P-C4' energy: -8.633
flat angles C4'-P-C4' energy: -5.015
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -102.204702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.204702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.204702 (E_RNA)
where:
Base-Base interactions energy: -69.073
where: short stacking energy: -24.878
Base-Backbone interact. energy: -0.912
local terms energy: -32.219854
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -5.234
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -6.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -94.968922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.968922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.968922 (E_RNA)
where:
Base-Base interactions energy: -62.153
where: short stacking energy: -21.744
Base-Backbone interact. energy: -0.103
local terms energy: -32.712673
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -6.937
flat angles C4'-P-C4' energy: -8.746
flat angles P-C4'-P energy: -4.465
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -57.302173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.302173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.302173 (E_RNA)
where:
Base-Base interactions energy: -27.977
where: short stacking energy: -15.203
Base-Backbone interact. energy: -0.007
local terms energy: -29.318641
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -7.181
flat angles P-C4'-P energy: -2.697
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -52.782291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.782291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.782291 (E_RNA)
where:
Base-Base interactions energy: -20.461
where: short stacking energy: -20.461
Base-Backbone interact. energy: -0.064
local terms energy: -32.257132
where:
bonds (distance) C4'-P energy: -6.860
bonds (distance) P-C4' energy: -8.208
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -4.824
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: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -55.720178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.720178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.720178 (E_RNA)
where:
Base-Base interactions energy: -24.284
where: short stacking energy: -24.284
Base-Backbone interact. energy: -0.001
local terms energy: -31.435607
where:
bonds (distance) C4'-P energy: -5.493
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -7.555
flat angles P-C4'-P energy: -3.465
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: 8, replica: 1
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -97.623563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.623563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.623563 (E_RNA)
where:
Base-Base interactions energy: -66.338
where: short stacking energy: -28.383
Base-Backbone interact. energy: -0.225
local terms energy: -31.060073
where:
bonds (distance) C4'-P energy: -6.657
bonds (distance) P-C4' energy: -7.883
flat angles C4'-P-C4' energy: -5.938
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -49.051475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.051475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.051475 (E_RNA)
where:
Base-Base interactions energy: -19.987
where: short stacking energy: -19.987
Base-Backbone interact. energy: -0.012
local terms energy: -29.052378
where:
bonds (distance) C4'-P energy: -8.308
bonds (distance) P-C4' energy: -6.705
flat angles C4'-P-C4' energy: -6.978
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -54.018795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.018795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.018795 (E_RNA)
where:
Base-Base interactions energy: -33.949
where: short stacking energy: -11.846
Base-Backbone interact. energy: -0.254
local terms energy: -19.815267
where:
bonds (distance) C4'-P energy: -5.795
bonds (distance) P-C4' energy: -5.610
flat angles C4'-P-C4' energy: -3.986
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: 1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -107.246943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.246943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.246943 (E_RNA)
where:
Base-Base interactions energy: -68.576
where: short stacking energy: -25.971
Base-Backbone interact. energy: -0.624
local terms energy: -38.046550
where:
bonds (distance) C4'-P energy: -7.154
bonds (distance) P-C4' energy: -8.802
flat angles C4'-P-C4' energy: -7.559
flat angles P-C4'-P energy: -7.820
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: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -86.881257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.881257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.881257 (E_RNA)
where:
Base-Base interactions energy: -54.447
where: short stacking energy: -23.457
Base-Backbone interact. energy: -0.709
local terms energy: -31.725001
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -8.389
flat angles C4'-P-C4' energy: -7.355
flat angles P-C4'-P energy: -2.848
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -101.953702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.953702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.953702 (E_RNA)
where:
Base-Base interactions energy: -68.846
where: short stacking energy: -27.899
Base-Backbone interact. energy: -0.000
local terms energy: -33.107059
where:
bonds (distance) C4'-P energy: -7.505
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -7.589
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -101.189646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.189646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.189646 (E_RNA)
where:
Base-Base interactions energy: -67.321
where: short stacking energy: -26.822
Base-Backbone interact. energy: -0.018
local terms energy: -33.850784
where:
bonds (distance) C4'-P energy: -6.913
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -53.179710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.179710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.179710 (E_RNA)
where:
Base-Base interactions energy: -22.749
where: short stacking energy: -22.749
Base-Backbone interact. energy: -0.015
local terms energy: -30.415871
where:
bonds (distance) C4'-P energy: -6.674
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -4.948
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -4.388
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: 16
Temperature: 1.150000
Total energy: -53.877556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.877556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.877556 (E_RNA)
where:
Base-Base interactions energy: -23.406
where: short stacking energy: -23.406
Base-Backbone interact. energy: -0.002
local terms energy: -30.469512
where:
bonds (distance) C4'-P energy: -6.685
bonds (distance) P-C4' energy: -9.131
flat angles C4'-P-C4' energy: -4.231
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -86.520852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.520852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.520852 (E_RNA)
where:
Base-Base interactions energy: -59.082
where: short stacking energy: -25.898
Base-Backbone interact. energy: -0.820
local terms energy: -26.619461
where:
bonds (distance) C4'-P energy: -6.557
bonds (distance) P-C4' energy: -3.870
flat angles C4'-P-C4' energy: -4.775
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -48.147401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.147401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.147401 (E_RNA)
where:
Base-Base interactions energy: -17.710
where: short stacking energy: -17.710
Base-Backbone interact. energy: -0.000
local terms energy: -30.437064
where:
bonds (distance) C4'-P energy: -7.311
bonds (distance) P-C4' energy: -9.556
flat angles C4'-P-C4' energy: -7.127
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -53.427975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.427975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.427975 (E_RNA)
where:
Base-Base interactions energy: -23.235
where: short stacking energy: -23.235
Base-Backbone interact. energy: -0.000
local terms energy: -30.192670
where:
bonds (distance) C4'-P energy: -4.939
bonds (distance) P-C4' energy: -6.156
flat angles C4'-P-C4' energy: -7.343
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -46.368023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.368023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.368023 (E_RNA)
where:
Base-Base interactions energy: -19.501
where: short stacking energy: -19.299
Base-Backbone interact. energy: -0.007
local terms energy: -26.860202
where:
bonds (distance) C4'-P energy: -4.966
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -3.943
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -107.883544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.883544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.883544 (E_RNA)
where:
Base-Base interactions energy: -70.233
where: short stacking energy: -30.021
Base-Backbone interact. energy: -0.403
local terms energy: -37.247413
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -7.709
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: -4.224
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: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -103.904390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.904390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.904390 (E_RNA)
where:
Base-Base interactions energy: -70.124
where: short stacking energy: -28.700
Base-Backbone interact. energy: -0.012
local terms energy: -33.768089
where:
bonds (distance) C4'-P energy: -7.604
bonds (distance) P-C4' energy: -7.591
flat angles C4'-P-C4' energy: -7.877
flat angles P-C4'-P energy: -2.798
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -89.137509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.137509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.137509 (E_RNA)
where:
Base-Base interactions energy: -60.669
where: short stacking energy: -18.753
Base-Backbone interact. energy: -0.135
local terms energy: -28.332935
where:
bonds (distance) C4'-P energy: -6.805
bonds (distance) P-C4' energy: -7.054
flat angles C4'-P-C4' energy: -7.316
flat angles P-C4'-P energy: -2.206
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -96.780803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.780803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.780803 (E_RNA)
where:
Base-Base interactions energy: -67.669
where: short stacking energy: -25.092
Base-Backbone interact. energy: -0.050
local terms energy: -29.061758
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -7.720
flat angles C4'-P-C4' energy: -6.592
flat angles P-C4'-P energy: -5.327
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -55.745970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.745970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.745970 (E_RNA)
where:
Base-Base interactions energy: -23.032
where: short stacking energy: -23.032
Base-Backbone interact. energy: -0.001
local terms energy: -32.712613
where:
bonds (distance) C4'-P energy: -4.914
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -4.400
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -7.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -91.963321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.963321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.963321 (E_RNA)
where:
Base-Base interactions energy: -59.537
where: short stacking energy: -24.867
Base-Backbone interact. energy: -0.034
local terms energy: -32.391534
where:
bonds (distance) C4'-P energy: -5.444
bonds (distance) P-C4' energy: -7.953
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -7.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -52.146198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.146198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.146198 (E_RNA)
where:
Base-Base interactions energy: -18.492
where: short stacking energy: -17.241
Base-Backbone interact. energy: -0.003
local terms energy: -33.650805
where:
bonds (distance) C4'-P energy: -7.563
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -45.737745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.737745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.737745 (E_RNA)
where:
Base-Base interactions energy: -19.983
where: short stacking energy: -20.268
Base-Backbone interact. energy: -0.032
local terms energy: -25.723336
where:
bonds (distance) C4'-P energy: -5.890
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -3.950
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -48.327544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.327544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.327544 (E_RNA)
where:
Base-Base interactions energy: -22.748
where: short stacking energy: -22.748
Base-Backbone interact. energy: -0.007
local terms energy: -25.572563
where:
bonds (distance) C4'-P energy: -5.244
bonds (distance) P-C4' energy: -3.955
flat angles C4'-P-C4' energy: -6.589
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -44.297444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.297444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.297444 (E_RNA)
where:
Base-Base interactions energy: -13.319
where: short stacking energy: -13.819
Base-Backbone interact. energy: -0.178
local terms energy: -30.800813
where:
bonds (distance) C4'-P energy: -8.395
bonds (distance) P-C4' energy: -8.802
flat angles C4'-P-C4' energy: -8.090
flat angles P-C4'-P energy: -3.411
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -98.075236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.075236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.075236 (E_RNA)
where:
Base-Base interactions energy: -65.241
where: short stacking energy: -25.279
Base-Backbone interact. energy: -1.205
local terms energy: -31.628487
where:
bonds (distance) C4'-P energy: -7.849
bonds (distance) P-C4' energy: -8.411
flat angles C4'-P-C4' energy: -7.084
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -108.933688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.933688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.933688 (E_RNA)
where:
Base-Base interactions energy: -71.995
where: short stacking energy: -29.983
Base-Backbone interact. energy: -0.012
local terms energy: -36.926079
where:
bonds (distance) C4'-P energy: -8.441
bonds (distance) P-C4' energy: -8.186
flat angles C4'-P-C4' energy: -7.710
flat angles P-C4'-P energy: -4.255
tors. eta vs tors. theta energy: -8.334
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: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -103.301600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.301600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.301600 (E_RNA)
where:
Base-Base interactions energy: -73.967
where: short stacking energy: -26.139
Base-Backbone interact. energy: -0.091
local terms energy: -29.243572
where:
bonds (distance) C4'-P energy: -6.710
bonds (distance) P-C4' energy: -6.772
flat angles C4'-P-C4' energy: -5.029
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -87.923930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.923930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.923930 (E_RNA)
where:
Base-Base interactions energy: -55.047
where: short stacking energy: -27.552
Base-Backbone interact. energy: -1.645
local terms energy: -31.231600
where:
bonds (distance) C4'-P energy: -6.159
bonds (distance) P-C4' energy: -7.496
flat angles C4'-P-C4' energy: -7.199
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -5.303
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: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -90.184818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.184818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.184818 (E_RNA)
where:
Base-Base interactions energy: -56.614
where: short stacking energy: -27.450
Base-Backbone interact. energy: -0.543
local terms energy: -33.027450
where:
bonds (distance) C4'-P energy: -6.400
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -7.497
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -51.735150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.735150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.735150 (E_RNA)
where:
Base-Base interactions energy: -27.503
where: short stacking energy: -20.879
Base-Backbone interact. energy: 0.630
local terms energy: -24.861546
where:
bonds (distance) C4'-P energy: -6.470
bonds (distance) P-C4' energy: -6.113
flat angles C4'-P-C4' energy: -4.031
flat angles P-C4'-P energy: -6.501
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: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -50.706737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.706737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.706737 (E_RNA)
where:
Base-Base interactions energy: -24.962
where: short stacking energy: -24.962
Base-Backbone interact. energy: -0.266
local terms energy: -25.479016
where:
bonds (distance) C4'-P energy: -6.842
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -6.628
flat angles P-C4'-P energy: -1.915
tors. eta vs tors. theta energy: -3.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -43.209109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.209109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.209109 (E_RNA)
where:
Base-Base interactions energy: -16.942
where: short stacking energy: -16.942
Base-Backbone interact. energy: -0.000
local terms energy: -26.266504
where:
bonds (distance) C4'-P energy: -7.738
bonds (distance) P-C4' energy: -7.995
flat angles C4'-P-C4' energy: -6.101
flat angles P-C4'-P energy: -3.936
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: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -45.293514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.293514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.293514 (E_RNA)
where:
Base-Base interactions energy: -16.230
where: short stacking energy: -16.230
Base-Backbone interact. energy: -0.007
local terms energy: -29.056229
where:
bonds (distance) C4'-P energy: -5.720
bonds (distance) P-C4' energy: -7.756
flat angles C4'-P-C4' energy: -7.790
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -45.240815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.240815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.240815 (E_RNA)
where:
Base-Base interactions energy: -20.059
where: short stacking energy: -19.607
Base-Backbone interact. energy: -0.022
local terms energy: -25.160014
where:
bonds (distance) C4'-P energy: -5.121
bonds (distance) P-C4' energy: -5.678
flat angles C4'-P-C4' energy: -8.744
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -108.205395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.205395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.205395 (E_RNA)
where:
Base-Base interactions energy: -69.806
where: short stacking energy: -31.314
Base-Backbone interact. energy: -0.993
local terms energy: -37.406181
where:
bonds (distance) C4'-P energy: -6.798
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -8.495
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -7.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -102.575038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.575038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.575038 (E_RNA)
where:
Base-Base interactions energy: -67.828
where: short stacking energy: -28.761
Base-Backbone interact. energy: -0.976
local terms energy: -33.771217
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -5.800
flat angles C4'-P-C4' energy: -7.126
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -107.801308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.801308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.801308 (E_RNA)
where:
Base-Base interactions energy: -70.744
where: short stacking energy: -29.481
Base-Backbone interact. energy: -0.366
local terms energy: -36.691326
where:
bonds (distance) C4'-P energy: -8.076
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -6.790
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -7.557
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: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -98.439166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.439166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.439166 (E_RNA)
where:
Base-Base interactions energy: -66.075
where: short stacking energy: -26.628
Base-Backbone interact. energy: -0.394
local terms energy: -31.970419
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -5.414
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -99.550618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.550618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.550618 (E_RNA)
where:
Base-Base interactions energy: -68.050
where: short stacking energy: -28.760
Base-Backbone interact. energy: -0.001
local terms energy: -31.499327
where:
bonds (distance) C4'-P energy: -3.667
bonds (distance) P-C4' energy: -8.280
flat angles C4'-P-C4' energy: -6.656
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -8.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -58.412969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.412969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.412969 (E_RNA)
where:
Base-Base interactions energy: -24.453
where: short stacking energy: -16.422
Base-Backbone interact. energy: -0.026
local terms energy: -33.934741
where:
bonds (distance) C4'-P energy: -6.577
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -7.555
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -5.023
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: 19
Temperature: 1.200000
Total energy: -55.789746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.789746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.789746 (E_RNA)
where:
Base-Base interactions energy: -29.598
where: short stacking energy: -18.035
Base-Backbone interact. energy: -0.002
local terms energy: -26.189494
where:
bonds (distance) C4'-P energy: -7.986
bonds (distance) P-C4' energy: -5.787
flat angles C4'-P-C4' energy: -6.599
flat angles P-C4'-P energy: -3.658
tors. eta vs tors. theta energy: -2.161
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: 19
Temperature: 1.250000
Total energy: -53.953070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.953070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.953070 (E_RNA)
where:
Base-Base interactions energy: -20.926
where: short stacking energy: -20.926
Base-Backbone interact. energy: -0.006
local terms energy: -33.021058
where:
bonds (distance) C4'-P energy: -7.356
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -7.049
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -51.876179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.876179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.876179 (E_RNA)
where:
Base-Base interactions energy: -18.208
where: short stacking energy: -18.208
Base-Backbone interact. energy: -0.000
local terms energy: -33.668298
where:
bonds (distance) C4'-P energy: -7.588
bonds (distance) P-C4' energy: -8.644
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -51.631995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.631995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.631995 (E_RNA)
where:
Base-Base interactions energy: -27.656
where: short stacking energy: -27.656
Base-Backbone interact. energy: -0.001
local terms energy: -23.975775
where:
bonds (distance) C4'-P energy: -1.838
bonds (distance) P-C4' energy: -4.443
flat angles C4'-P-C4' energy: -6.917
flat angles P-C4'-P energy: -5.221
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: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -104.394965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.394965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.394965 (E_RNA)
where:
Base-Base interactions energy: -72.618
where: short stacking energy: -29.663
Base-Backbone interact. energy: -0.087
local terms energy: -31.689629
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: -3.154
tors. eta vs tors. theta energy: -5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -106.968343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.968343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.968343 (E_RNA)
where:
Base-Base interactions energy: -68.151
where: short stacking energy: -27.818
Base-Backbone interact. energy: -0.199
local terms energy: -38.617888
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -6.818
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -7.373
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: 20
Temperature: 1.000000
Total energy: -110.116476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.116476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.116476 (E_RNA)
where:
Base-Base interactions energy: -69.277
where: short stacking energy: -30.805
Base-Backbone interact. energy: -0.000
local terms energy: -40.839689
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -103.685611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.685611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.685611 (E_RNA)
where:
Base-Base interactions energy: -69.171
where: short stacking energy: -27.078
Base-Backbone interact. energy: -0.000
local terms energy: -34.514701
where:
bonds (distance) C4'-P energy: -6.983
bonds (distance) P-C4' energy: -6.093
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -7.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -101.556768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.556768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.556768 (E_RNA)
where:
Base-Base interactions energy: -66.579
where: short stacking energy: -26.353
Base-Backbone interact. energy: -0.053
local terms energy: -34.924190
where:
bonds (distance) C4'-P energy: -6.790
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -8.389
flat angles P-C4'-P energy: -1.585
tors. eta vs tors. theta energy: -8.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -44.401505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.401505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.401505 (E_RNA)
where:
Base-Base interactions energy: -19.200
where: short stacking energy: -15.806
Base-Backbone interact. energy: -0.149
local terms energy: -25.052929
where:
bonds (distance) C4'-P energy: -8.371
bonds (distance) P-C4' energy: -8.221
flat angles C4'-P-C4' energy: -4.371
flat angles P-C4'-P energy: -0.792
tors. eta vs tors. theta energy: -3.298
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: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -54.837023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.837023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.837023 (E_RNA)
where:
Base-Base interactions energy: -25.797
where: short stacking energy: -13.559
Base-Backbone interact. energy: -0.327
local terms energy: -28.712325
where:
bonds (distance) C4'-P energy: -8.921
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -6.864
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -49.280307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.280307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.280307 (E_RNA)
where:
Base-Base interactions energy: -24.542
where: short stacking energy: -24.542
Base-Backbone interact. energy: -1.054
local terms energy: -23.684751
where:
bonds (distance) C4'-P energy: -6.516
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -3.686
flat angles P-C4'-P energy: -4.425
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: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -41.888407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.888407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.888407 (E_RNA)
where:
Base-Base interactions energy: -12.903
where: short stacking energy: -12.903
Base-Backbone interact. energy: 0.653
local terms energy: -29.638014
where:
bonds (distance) C4'-P energy: -7.224
bonds (distance) P-C4' energy: -8.112
flat angles C4'-P-C4' energy: -7.523
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -39.517989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.517989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.517989 (E_RNA)
where:
Base-Base interactions energy: -16.959
where: short stacking energy: -16.959
Base-Backbone interact. energy: -0.036
local terms energy: -22.522498
where:
bonds (distance) C4'-P energy: -4.426
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -5.733
flat angles P-C4'-P energy: -1.432
tors. eta vs tors. theta energy: -1.583
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: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -103.584485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.584485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.584485 (E_RNA)
where:
Base-Base interactions energy: -72.395
where: short stacking energy: -25.542
Base-Backbone interact. energy: -0.169
local terms energy: -31.021073
where:
bonds (distance) C4'-P energy: -8.085
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -6.106
flat angles P-C4'-P energy: -2.715
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -107.317604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.317604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.317604 (E_RNA)
where:
Base-Base interactions energy: -73.677
where: short stacking energy: -31.820
Base-Backbone interact. energy: -1.818
local terms energy: -31.822236
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -6.347
flat angles C4'-P-C4' energy: -7.615
flat angles P-C4'-P energy: -2.618
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: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -104.384521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.384521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.384521 (E_RNA)
where:
Base-Base interactions energy: -69.762
where: short stacking energy: -27.389
Base-Backbone interact. energy: -0.056
local terms energy: -34.566035
where:
bonds (distance) C4'-P energy: -5.647
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -105.994542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.994542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.994542 (E_RNA)
where:
Base-Base interactions energy: -68.600
where: short stacking energy: -27.760
Base-Backbone interact. energy: -0.000
local terms energy: -37.394262
where:
bonds (distance) C4'-P energy: -7.695
bonds (distance) P-C4' energy: -7.960
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -6.820
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: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -101.595770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.595770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.595770 (E_RNA)
where:
Base-Base interactions energy: -68.572
where: short stacking energy: -26.407
Base-Backbone interact. energy: 0.064
local terms energy: -33.087506
where:
bonds (distance) C4'-P energy: -7.676
bonds (distance) P-C4' energy: -8.193
flat angles C4'-P-C4' energy: -6.777
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -64.425099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.425099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.425099 (E_RNA)
where:
Base-Base interactions energy: -29.279
where: short stacking energy: -24.967
Base-Backbone interact. energy: 0.083
local terms energy: -35.229019
where:
bonds (distance) C4'-P energy: -7.712
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -7.245
flat angles P-C4'-P energy: -3.967
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -56.170700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.170700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.170700 (E_RNA)
where:
Base-Base interactions energy: -23.696
where: short stacking energy: -23.696
Base-Backbone interact. energy: -0.083
local terms energy: -32.392091
where:
bonds (distance) C4'-P energy: -7.116
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -4.910
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -51.057563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.057563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.057563 (E_RNA)
where:
Base-Base interactions energy: -22.688
where: short stacking energy: -22.688
Base-Backbone interact. energy: -0.055
local terms energy: -28.314277
where:
bonds (distance) C4'-P energy: -6.747
bonds (distance) P-C4' energy: -8.566
flat angles C4'-P-C4' energy: -5.526
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -51.293507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.293507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.293507 (E_RNA)
where:
Base-Base interactions energy: -28.340
where: short stacking energy: -14.529
Base-Backbone interact. energy: -0.002
local terms energy: -22.951555
where:
bonds (distance) C4'-P energy: -2.898
bonds (distance) P-C4' energy: -7.594
flat angles C4'-P-C4' energy: -4.796
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -2.891
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: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -50.941851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.941851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.941851 (E_RNA)
where:
Base-Base interactions energy: -22.310
where: short stacking energy: -21.747
Base-Backbone interact. energy: -0.118
local terms energy: -28.513482
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -8.510
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -109.921066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.921066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.921066 (E_RNA)
where:
Base-Base interactions energy: -74.750
where: short stacking energy: -29.685
Base-Backbone interact. energy: -0.674
local terms energy: -34.496744
where:
bonds (distance) C4'-P energy: -7.712
bonds (distance) P-C4' energy: -8.569
flat angles C4'-P-C4' energy: -7.241
flat angles P-C4'-P energy: -2.481
tors. eta vs tors. theta energy: -8.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -100.525818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.525818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.525818 (E_RNA)
where:
Base-Base interactions energy: -67.866
where: short stacking energy: -27.962
Base-Backbone interact. energy: -0.285
local terms energy: -32.374735
where:
bonds (distance) C4'-P energy: -8.209
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -4.296
flat angles P-C4'-P energy: -6.518
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: 3, replica: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -91.096905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.096905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.096905 (E_RNA)
where:
Base-Base interactions energy: -57.279
where: short stacking energy: -24.705
Base-Backbone interact. energy: -1.256
local terms energy: -32.561933
where:
bonds (distance) C4'-P energy: -4.951
bonds (distance) P-C4' energy: -7.720
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -107.075611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.075611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.075611 (E_RNA)
where:
Base-Base interactions energy: -71.522
where: short stacking energy: -28.561
Base-Backbone interact. energy: -0.493
local terms energy: -35.060336
where:
bonds (distance) C4'-P energy: -6.885
bonds (distance) P-C4' energy: -7.355
flat angles C4'-P-C4' energy: -8.222
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -102.912381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.912381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.912381 (E_RNA)
where:
Base-Base interactions energy: -64.412
where: short stacking energy: -27.130
Base-Backbone interact. energy: -1.224
local terms energy: -37.276178
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -8.447
flat angles C4'-P-C4' energy: -6.862
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -7.941
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: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -50.779542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.779542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.779542 (E_RNA)
where:
Base-Base interactions energy: -21.113
where: short stacking energy: -20.198
Base-Backbone interact. energy: -0.061
local terms energy: -29.606115
where:
bonds (distance) C4'-P energy: -7.356
bonds (distance) P-C4' energy: -6.265
flat angles C4'-P-C4' energy: -5.724
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -59.224220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.224220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.224220 (E_RNA)
where:
Base-Base interactions energy: -27.006
where: short stacking energy: -27.006
Base-Backbone interact. energy: 0.139
local terms energy: -32.357141
where:
bonds (distance) C4'-P energy: -7.186
bonds (distance) P-C4' energy: -8.011
flat angles C4'-P-C4' energy: -7.230
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -44.374982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.374982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.374982 (E_RNA)
where:
Base-Base interactions energy: -19.715
where: short stacking energy: -19.715
Base-Backbone interact. energy: -0.063
local terms energy: -24.596063
where:
bonds (distance) C4'-P energy: -7.364
bonds (distance) P-C4' energy: -6.628
flat angles C4'-P-C4' energy: -6.116
flat angles P-C4'-P energy: -2.746
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -52.809212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.809212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.809212 (E_RNA)
where:
Base-Base interactions energy: -26.289
where: short stacking energy: -15.243
Base-Backbone interact. energy: -0.030
local terms energy: -26.490827
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -7.572
flat angles C4'-P-C4' energy: -1.916
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -41.671312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.671312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.671312 (E_RNA)
where:
Base-Base interactions energy: -17.582
where: short stacking energy: -17.582
Base-Backbone interact. energy: -0.021
local terms energy: -24.068115
where:
bonds (distance) C4'-P energy: -6.967
bonds (distance) P-C4' energy: -5.203
flat angles C4'-P-C4' energy: -6.567
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -107.557987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.557987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.557987 (E_RNA)
where:
Base-Base interactions energy: -74.412
where: short stacking energy: -31.460
Base-Backbone interact. energy: -0.044
local terms energy: -33.102001
where:
bonds (distance) C4'-P energy: -6.885
bonds (distance) P-C4' energy: -7.745
flat angles C4'-P-C4' energy: -6.124
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -102.155895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.155895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.155895 (E_RNA)
where:
Base-Base interactions energy: -69.136
where: short stacking energy: -27.108
Base-Backbone interact. energy: -0.007
local terms energy: -33.012865
where:
bonds (distance) C4'-P energy: -6.761
bonds (distance) P-C4' energy: -6.132
flat angles C4'-P-C4' energy: -6.632
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -7.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -103.488376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.488376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.488376 (E_RNA)
where:
Base-Base interactions energy: -69.919
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.734
local terms energy: -32.835645
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -6.971
flat angles C4'-P-C4' energy: -5.094
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -105.005726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.005726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.005726 (E_RNA)
where:
Base-Base interactions energy: -68.072
where: short stacking energy: -28.860
Base-Backbone interact. energy: -0.291
local terms energy: -36.642723
where:
bonds (distance) C4'-P energy: -8.283
bonds (distance) P-C4' energy: -7.358
flat angles C4'-P-C4' energy: -7.578
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -94.474003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.474003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.474003 (E_RNA)
where:
Base-Base interactions energy: -63.660
where: short stacking energy: -21.825
Base-Backbone interact. energy: -0.552
local terms energy: -30.262199
where:
bonds (distance) C4'-P energy: -6.636
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -6.057
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -51.304510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.304510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.304510 (E_RNA)
where:
Base-Base interactions energy: -24.697
where: short stacking energy: -24.697
Base-Backbone interact. energy: -0.106
local terms energy: -26.501075
where:
bonds (distance) C4'-P energy: -3.755
bonds (distance) P-C4' energy: -6.819
flat angles C4'-P-C4' energy: -4.620
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -50.757134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.757134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.757134 (E_RNA)
where:
Base-Base interactions energy: -21.155
where: short stacking energy: -21.155
Base-Backbone interact. energy: -0.032
local terms energy: -29.569582
where:
bonds (distance) C4'-P energy: -7.754
bonds (distance) P-C4' energy: -8.826
flat angles C4'-P-C4' energy: -4.062
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -48.545030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.545030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.545030 (E_RNA)
where:
Base-Base interactions energy: -21.497
where: short stacking energy: -20.367
Base-Backbone interact. energy: -0.161
local terms energy: -26.887181
where:
bonds (distance) C4'-P energy: -4.318
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -5.867
flat angles P-C4'-P energy: -4.663
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: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -46.324587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.324587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.324587 (E_RNA)
where:
Base-Base interactions energy: -18.733
where: short stacking energy: -10.874
Base-Backbone interact. energy: -0.035
local terms energy: -27.556191
where:
bonds (distance) C4'-P energy: -7.206
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -6.087
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: -1.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -41.113068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.113068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.113068 (E_RNA)
where:
Base-Base interactions energy: -17.842
where: short stacking energy: -11.932
Base-Backbone interact. energy: 1.499
local terms energy: -24.770009
where:
bonds (distance) C4'-P energy: -4.479
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -4.840
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -101.513411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.513411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.513411 (E_RNA)
where:
Base-Base interactions energy: -65.601
where: short stacking energy: -26.738
Base-Backbone interact. energy: -0.007
local terms energy: -35.905779
where:
bonds (distance) C4'-P energy: -8.093
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -3.108
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -105.119176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.119176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.119176 (E_RNA)
where:
Base-Base interactions energy: -66.967
where: short stacking energy: -25.560
Base-Backbone interact. energy: -0.058
local terms energy: -38.094646
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -7.725
flat angles C4'-P-C4' energy: -9.372
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: -8.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -100.529213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.529213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.529213 (E_RNA)
where:
Base-Base interactions energy: -69.361
where: short stacking energy: -24.751
Base-Backbone interact. energy: -0.001
local terms energy: -31.166891
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -3.246
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -101.970000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.970000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.970000 (E_RNA)
where:
Base-Base interactions energy: -68.162
where: short stacking energy: -26.976
Base-Backbone interact. energy: -0.003
local terms energy: -33.804837
where:
bonds (distance) C4'-P energy: -5.817
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -5.771
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -98.360816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.360816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.360816 (E_RNA)
where:
Base-Base interactions energy: -61.369
where: short stacking energy: -25.230
Base-Backbone interact. energy: -1.200
local terms energy: -35.792554
where:
bonds (distance) C4'-P energy: -7.191
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -7.249
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -57.268148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.268148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.268148 (E_RNA)
where:
Base-Base interactions energy: -20.942
where: short stacking energy: -20.942
Base-Backbone interact. energy: -0.000
local terms energy: -36.326377
where:
bonds (distance) C4'-P energy: -6.897
bonds (distance) P-C4' energy: -7.646
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -51.789948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.789948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.789948 (E_RNA)
where:
Base-Base interactions energy: -20.128
where: short stacking energy: -19.731
Base-Backbone interact. energy: -0.098
local terms energy: -31.563734
where:
bonds (distance) C4'-P energy: -6.789
bonds (distance) P-C4' energy: -4.860
flat angles C4'-P-C4' energy: -7.289
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -47.674654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.674654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.674654 (E_RNA)
where:
Base-Base interactions energy: -16.063
where: short stacking energy: -16.063
Base-Backbone interact. energy: -0.008
local terms energy: -31.603726
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -6.513
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -46.178471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.178471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.178471 (E_RNA)
where:
Base-Base interactions energy: -18.025
where: short stacking energy: -10.291
Base-Backbone interact. energy: 0.723
local terms energy: -28.875908
where:
bonds (distance) C4'-P energy: -6.682
bonds (distance) P-C4' energy: -7.005
flat angles C4'-P-C4' energy: -7.352
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -48.300081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.300081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.300081 (E_RNA)
where:
Base-Base interactions energy: -18.669
where: short stacking energy: -16.150
Base-Backbone interact. energy: -0.022
local terms energy: -29.608801
where:
bonds (distance) C4'-P energy: -4.375
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -7.233
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -3.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -102.203318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.203318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.203318 (E_RNA)
where:
Base-Base interactions energy: -65.341
where: short stacking energy: -23.670
Base-Backbone interact. energy: -1.769
local terms energy: -35.093734
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -7.500
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -104.191036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.191036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.191036 (E_RNA)
where:
Base-Base interactions energy: -66.694
where: short stacking energy: -28.023
Base-Backbone interact. energy: -0.090
local terms energy: -37.407135
where:
bonds (distance) C4'-P energy: -6.641
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -6.387
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: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -99.217223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.217223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.217223 (E_RNA)
where:
Base-Base interactions energy: -63.186
where: short stacking energy: -23.903
Base-Backbone interact. energy: -0.940
local terms energy: -35.090354
where:
bonds (distance) C4'-P energy: -6.123
bonds (distance) P-C4' energy: -8.351
flat angles C4'-P-C4' energy: -6.878
flat angles P-C4'-P energy: -5.821
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: 4, replica: 7
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -105.616157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.616157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.616157 (E_RNA)
where:
Base-Base interactions energy: -69.526
where: short stacking energy: -28.099
Base-Backbone interact. energy: -0.375
local terms energy: -35.715066
where:
bonds (distance) C4'-P energy: -6.930
bonds (distance) P-C4' energy: -7.502
flat angles C4'-P-C4' energy: -7.385
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -8.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -99.757610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.757610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.757610 (E_RNA)
where:
Base-Base interactions energy: -67.902
where: short stacking energy: -29.568
Base-Backbone interact. energy: -0.501
local terms energy: -31.355014
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -6.677
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: -10.028
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: 25
Temperature: 1.150000
Total energy: -55.670611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.670611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.670611 (E_RNA)
where:
Base-Base interactions energy: -25.140
where: short stacking energy: -25.140
Base-Backbone interact. energy: -0.001
local terms energy: -30.529677
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -7.629
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -4.570
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: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -62.866401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.866401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.866401 (E_RNA)
where:
Base-Base interactions energy: -29.203
where: short stacking energy: -29.203
Base-Backbone interact. energy: -0.190
local terms energy: -33.473283
where:
bonds (distance) C4'-P energy: -6.585
bonds (distance) P-C4' energy: -8.288
flat angles C4'-P-C4' energy: -5.523
flat angles P-C4'-P energy: -3.307
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -44.491264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.491264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.491264 (E_RNA)
where:
Base-Base interactions energy: -14.474
where: short stacking energy: -14.474
Base-Backbone interact. energy: -0.000
local terms energy: -30.016575
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -6.404
flat angles P-C4'-P energy: -2.133
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -42.676248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.676248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.676248 (E_RNA)
where:
Base-Base interactions energy: -21.245
where: short stacking energy: -18.922
Base-Backbone interact. energy: 0.432
local terms energy: -21.863971
where:
bonds (distance) C4'-P energy: -1.324
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -5.804
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -3.182
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: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -43.038776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.038776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.038776 (E_RNA)
where:
Base-Base interactions energy: -17.780
where: short stacking energy: -15.640
Base-Backbone interact. energy: -0.009
local terms energy: -25.250248
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -4.060
flat angles P-C4'-P energy: -3.284
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: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -105.586665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.586665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.586665 (E_RNA)
where:
Base-Base interactions energy: -70.665
where: short stacking energy: -27.689
Base-Backbone interact. energy: -0.011
local terms energy: -34.910071
where:
bonds (distance) C4'-P energy: -7.382
bonds (distance) P-C4' energy: -7.950
flat angles C4'-P-C4' energy: -7.382
flat angles P-C4'-P energy: -4.722
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: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -105.667135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.667135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.667135 (E_RNA)
where:
Base-Base interactions energy: -71.611
where: short stacking energy: -28.395
Base-Backbone interact. energy: -1.166
local terms energy: -32.890079
where:
bonds (distance) C4'-P energy: -6.023
bonds (distance) P-C4' energy: -7.787
flat angles C4'-P-C4' energy: -7.696
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -103.494981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.494981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.494981 (E_RNA)
where:
Base-Base interactions energy: -68.848
where: short stacking energy: -30.959
Base-Backbone interact. energy: -0.001
local terms energy: -34.645528
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -9.038
flat angles C4'-P-C4' energy: -8.469
flat angles P-C4'-P energy: -2.729
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -101.842486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.842486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.842486 (E_RNA)
where:
Base-Base interactions energy: -66.919
where: short stacking energy: -27.085
Base-Backbone interact. energy: -1.490
local terms energy: -33.433778
where:
bonds (distance) C4'-P energy: -7.286
bonds (distance) P-C4' energy: -7.720
flat angles C4'-P-C4' energy: -4.721
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -93.744124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.744124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.744124 (E_RNA)
where:
Base-Base interactions energy: -60.815
where: short stacking energy: -18.977
Base-Backbone interact. energy: 0.380
local terms energy: -33.309568
where:
bonds (distance) C4'-P energy: -8.164
bonds (distance) P-C4' energy: -7.677
flat angles C4'-P-C4' energy: -6.658
flat angles P-C4'-P energy: -6.252
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: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -47.607900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.607900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.607900 (E_RNA)
where:
Base-Base interactions energy: -21.449
where: short stacking energy: -19.795
Base-Backbone interact. energy: -0.048
local terms energy: -26.111061
where:
bonds (distance) C4'-P energy: -7.480
bonds (distance) P-C4' energy: -8.401
flat angles C4'-P-C4' energy: -3.770
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -56.140747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.140747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.140747 (E_RNA)
where:
Base-Base interactions energy: -26.095
where: short stacking energy: -26.095
Base-Backbone interact. energy: -0.000
local terms energy: -30.045554
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -7.104
flat angles C4'-P-C4' energy: -7.589
flat angles P-C4'-P energy: -4.457
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: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -47.113724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.113724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.113724 (E_RNA)
where:
Base-Base interactions energy: -22.366
where: short stacking energy: -22.366
Base-Backbone interact. energy: -0.001
local terms energy: -24.746399
where:
bonds (distance) C4'-P energy: -6.549
bonds (distance) P-C4' energy: -8.612
flat angles C4'-P-C4' energy: -4.644
flat angles P-C4'-P energy: -1.359
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -49.727178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.727178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.727178 (E_RNA)
where:
Base-Base interactions energy: -30.422
where: short stacking energy: -16.252
Base-Backbone interact. energy: -0.192
local terms energy: -19.112620
where:
bonds (distance) C4'-P energy: -4.818
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -6.216
flat angles P-C4'-P energy: -0.049
tors. eta vs tors. theta energy: 0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -43.048635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.048635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.048635 (E_RNA)
where:
Base-Base interactions energy: -13.059
where: short stacking energy: -10.347
Base-Backbone interact. energy: -0.320
local terms energy: -29.669656
where:
bonds (distance) C4'-P energy: -7.960
bonds (distance) P-C4' energy: -9.131
flat angles C4'-P-C4' energy: -5.784
flat angles P-C4'-P energy: -2.818
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -107.373171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.373171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.373171 (E_RNA)
where:
Base-Base interactions energy: -71.217
where: short stacking energy: -32.081
Base-Backbone interact. energy: -2.029
local terms energy: -34.127333
where:
bonds (distance) C4'-P energy: -8.520
bonds (distance) P-C4' energy: -8.672
flat angles C4'-P-C4' energy: -7.115
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -5.769
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: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -104.448582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.448582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.448582 (E_RNA)
where:
Base-Base interactions energy: -69.850
where: short stacking energy: -30.149
Base-Backbone interact. energy: -1.517
local terms energy: -33.081970
where:
bonds (distance) C4'-P energy: -5.336
bonds (distance) P-C4' energy: -6.812
flat angles C4'-P-C4' energy: -7.720
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -7.057
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: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -106.830798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.830798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.830798 (E_RNA)
where:
Base-Base interactions energy: -69.678
where: short stacking energy: -28.991
Base-Backbone interact. energy: -0.711
local terms energy: -36.440873
where:
bonds (distance) C4'-P energy: -8.076
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -6.879
flat angles P-C4'-P energy: -4.892
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: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -100.010613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.010613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.010613 (E_RNA)
where:
Base-Base interactions energy: -67.382
where: short stacking energy: -28.310
Base-Backbone interact. energy: -0.737
local terms energy: -31.892243
where:
bonds (distance) C4'-P energy: -8.218
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -7.618
flat angles P-C4'-P energy: -2.870
tors. eta vs tors. theta energy: -6.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -95.536927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.536927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.536927 (E_RNA)
where:
Base-Base interactions energy: -64.840
where: short stacking energy: -29.463
Base-Backbone interact. energy: -0.002
local terms energy: -30.695506
where:
bonds (distance) C4'-P energy: -5.567
bonds (distance) P-C4' energy: -7.746
flat angles C4'-P-C4' energy: -7.401
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -54.106334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.106334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.106334 (E_RNA)
where:
Base-Base interactions energy: -24.875
where: short stacking energy: -24.875
Base-Backbone interact. energy: -0.001
local terms energy: -29.229924
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.797
flat angles C4'-P-C4' energy: -3.483
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -45.636617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.636617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.636617 (E_RNA)
where:
Base-Base interactions energy: -23.427
where: short stacking energy: -21.522
Base-Backbone interact. energy: 0.138
local terms energy: -22.347276
where:
bonds (distance) C4'-P energy: -3.812
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: -2.909
tors. eta vs tors. theta energy: 1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -48.536068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.536068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.536068 (E_RNA)
where:
Base-Base interactions energy: -19.653
where: short stacking energy: -19.653
Base-Backbone interact. energy: -0.000
local terms energy: -28.882889
where:
bonds (distance) C4'-P energy: -7.588
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -5.437
flat angles P-C4'-P energy: -4.929
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: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -50.150906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.150906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.150906 (E_RNA)
where:
Base-Base interactions energy: -21.445
where: short stacking energy: -9.682
Base-Backbone interact. energy: -0.001
local terms energy: -28.704830
where:
bonds (distance) C4'-P energy: -6.519
bonds (distance) P-C4' energy: -7.861
flat angles C4'-P-C4' energy: -7.644
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -58.657375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.657375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.657375 (E_RNA)
where:
Base-Base interactions energy: -27.594
where: short stacking energy: -25.554
Base-Backbone interact. energy: -0.000
local terms energy: -31.063031
where:
bonds (distance) C4'-P energy: -5.912
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -7.099
flat angles P-C4'-P energy: -3.924
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: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -108.930663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.930663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.930663 (E_RNA)
where:
Base-Base interactions energy: -74.547
where: short stacking energy: -32.297
Base-Backbone interact. energy: -1.353
local terms energy: -33.031639
where:
bonds (distance) C4'-P energy: -5.622
bonds (distance) P-C4' energy: -7.398
flat angles C4'-P-C4' energy: -6.180
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -105.570861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.570861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.570861 (E_RNA)
where:
Base-Base interactions energy: -69.168
where: short stacking energy: -27.767
Base-Backbone interact. energy: -0.012
local terms energy: -36.390801
where:
bonds (distance) C4'-P energy: -7.382
bonds (distance) P-C4' energy: -7.625
flat angles C4'-P-C4' energy: -8.581
flat angles P-C4'-P energy: -3.775
tors. eta vs tors. theta energy: -9.028
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: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -99.650451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.650451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.650451 (E_RNA)
where:
Base-Base interactions energy: -62.938
where: short stacking energy: -28.056
Base-Backbone interact. energy: -1.322
local terms energy: -35.390074
where:
bonds (distance) C4'-P energy: -7.969
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -7.653
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -99.529377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.529377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.529377 (E_RNA)
where:
Base-Base interactions energy: -69.279
where: short stacking energy: -28.865
Base-Backbone interact. energy: -0.018
local terms energy: -30.232579
where:
bonds (distance) C4'-P energy: -6.474
bonds (distance) P-C4' energy: -6.843
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -2.354
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: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -103.960692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.960692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.960692 (E_RNA)
where:
Base-Base interactions energy: -66.992
where: short stacking energy: -29.126
Base-Backbone interact. energy: -0.001
local terms energy: -36.967874
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -7.343
flat angles C4'-P-C4' energy: -5.492
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -47.181902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.181902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.181902 (E_RNA)
where:
Base-Base interactions energy: -20.810
where: short stacking energy: -14.739
Base-Backbone interact. energy: -0.005
local terms energy: -26.366711
where:
bonds (distance) C4'-P energy: -6.851
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -7.348
flat angles P-C4'-P energy: -4.226
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: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -47.325318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.325318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.325318 (E_RNA)
where:
Base-Base interactions energy: -17.044
where: short stacking energy: -17.044
Base-Backbone interact. energy: -0.043
local terms energy: -30.238608
where:
bonds (distance) C4'-P energy: -6.959
bonds (distance) P-C4' energy: -7.978
flat angles C4'-P-C4' energy: -7.464
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -56.296302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.296302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.296302 (E_RNA)
where:
Base-Base interactions energy: -26.736
where: short stacking energy: -22.039
Base-Backbone interact. energy: 0.337
local terms energy: -29.896561
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -4.960
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -51.276580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.276580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.276580 (E_RNA)
where:
Base-Base interactions energy: -20.834
where: short stacking energy: -20.834
Base-Backbone interact. energy: -0.001
local terms energy: -30.440700
where:
bonds (distance) C4'-P energy: -7.546
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -6.263
flat angles P-C4'-P energy: -3.930
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -54.736091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.736091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.736091 (E_RNA)
where:
Base-Base interactions energy: -24.528
where: short stacking energy: -15.457
Base-Backbone interact. energy: -0.093
local terms energy: -30.114608
where:
bonds (distance) C4'-P energy: -7.328
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -6.947
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -110.015610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.015610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.015610 (E_RNA)
where:
Base-Base interactions energy: -72.369
where: short stacking energy: -28.640
Base-Backbone interact. energy: -0.058
local terms energy: -37.588725
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -7.730
flat angles P-C4'-P energy: -3.754
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -95.747340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.747340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.747340 (E_RNA)
where:
Base-Base interactions energy: -62.538
where: short stacking energy: -28.597
Base-Backbone interact. energy: -0.110
local terms energy: -33.099808
where:
bonds (distance) C4'-P energy: -7.811
bonds (distance) P-C4' energy: -9.063
flat angles C4'-P-C4' energy: -5.691
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -103.729913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.729913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.729913 (E_RNA)
where:
Base-Base interactions energy: -68.036
where: short stacking energy: -31.124
Base-Backbone interact. energy: -0.499
local terms energy: -35.194872
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -7.886
flat angles C4'-P-C4' energy: -6.116
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -100.033425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.033425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.033425 (E_RNA)
where:
Base-Base interactions energy: -63.868
where: short stacking energy: -27.369
Base-Backbone interact. energy: -1.369
local terms energy: -34.795659
where:
bonds (distance) C4'-P energy: -7.322
bonds (distance) P-C4' energy: -7.492
flat angles C4'-P-C4' energy: -6.484
flat angles P-C4'-P energy: -5.489
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: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -99.722863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.722863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.722863 (E_RNA)
where:
Base-Base interactions energy: -63.756
where: short stacking energy: -24.780
Base-Backbone interact. energy: -0.114
local terms energy: -35.853613
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -8.125
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: -5.627
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: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -60.606554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.606554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.606554 (E_RNA)
where:
Base-Base interactions energy: -26.499
where: short stacking energy: -26.499
Base-Backbone interact. energy: -0.000
local terms energy: -34.107939
where:
bonds (distance) C4'-P energy: -7.162
bonds (distance) P-C4' energy: -7.484
flat angles C4'-P-C4' energy: -8.411
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -6.856
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: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -48.463460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.463460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.463460 (E_RNA)
where:
Base-Base interactions energy: -23.061
where: short stacking energy: -23.061
Base-Backbone interact. energy: -0.011
local terms energy: -25.392277
where:
bonds (distance) C4'-P energy: -5.991
bonds (distance) P-C4' energy: -6.706
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -2.510
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -92.421250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.421250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.421250 (E_RNA)
where:
Base-Base interactions energy: -63.331
where: short stacking energy: -30.532
Base-Backbone interact. energy: -0.250
local terms energy: -28.840533
where:
bonds (distance) C4'-P energy: -6.904
bonds (distance) P-C4' energy: -2.715
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -2.479
tors. eta vs tors. theta energy: -8.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -49.080173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.080173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.080173 (E_RNA)
where:
Base-Base interactions energy: -18.093
where: short stacking energy: -18.093
Base-Backbone interact. energy: -0.000
local terms energy: -30.986785
where:
bonds (distance) C4'-P energy: -7.870
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: -1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -43.723395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.723395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.723395 (E_RNA)
where:
Base-Base interactions energy: -15.548
where: short stacking energy: -14.281
Base-Backbone interact. energy: -0.038
local terms energy: -28.137518
where:
bonds (distance) C4'-P energy: -6.773
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -4.227
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: -3.012
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: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -111.081778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.081778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.081778 (E_RNA)
where:
Base-Base interactions energy: -70.413
where: short stacking energy: -29.128
Base-Backbone interact. energy: -1.004
local terms energy: -39.664910
where:
bonds (distance) C4'-P energy: -6.764
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -95.798120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.798120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.798120 (E_RNA)
where:
Base-Base interactions energy: -63.164
where: short stacking energy: -25.633
Base-Backbone interact. energy: -0.621
local terms energy: -32.012870
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -5.048
flat angles P-C4'-P energy: -4.320
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: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -105.338485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.338485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.338485 (E_RNA)
where:
Base-Base interactions energy: -69.254
where: short stacking energy: -29.488
Base-Backbone interact. energy: 0.564
local terms energy: -36.648294
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -6.500
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -7.263
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: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -94.538398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.538398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.538398 (E_RNA)
where:
Base-Base interactions energy: -63.061
where: short stacking energy: -24.380
Base-Backbone interact. energy: -0.265
local terms energy: -31.212785
where:
bonds (distance) C4'-P energy: -6.408
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -7.300
flat angles P-C4'-P energy: -1.957
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -101.726975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.726975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.726975 (E_RNA)
where:
Base-Base interactions energy: -67.023
where: short stacking energy: -26.556
Base-Backbone interact. energy: -1.659
local terms energy: -33.044416
where:
bonds (distance) C4'-P energy: -5.962
bonds (distance) P-C4' energy: -7.762
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -58.193714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.193714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.193714 (E_RNA)
where:
Base-Base interactions energy: -23.585
where: short stacking energy: -21.325
Base-Backbone interact. energy: -0.000
local terms energy: -34.609034
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -8.281
flat angles C4'-P-C4' energy: -7.188
flat angles P-C4'-P energy: -4.980
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: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -63.601533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.601533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.601533 (E_RNA)
where:
Base-Base interactions energy: -36.201
where: short stacking energy: -13.402
Base-Backbone interact. energy: -0.109
local terms energy: -27.291790
where:
bonds (distance) C4'-P energy: -7.630
bonds (distance) P-C4' energy: -8.119
flat angles C4'-P-C4' energy: -5.194
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -46.258789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.258789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.258789 (E_RNA)
where:
Base-Base interactions energy: -16.800
where: short stacking energy: -11.181
Base-Backbone interact. energy: -0.082
local terms energy: -29.377233
where:
bonds (distance) C4'-P energy: -7.214
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -7.615
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: 1.455
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: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -45.334928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.334928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.334928 (E_RNA)
where:
Base-Base interactions energy: -17.321
where: short stacking energy: -17.321
Base-Backbone interact. energy: -0.001
local terms energy: -28.013427
where:
bonds (distance) C4'-P energy: -7.464
bonds (distance) P-C4' energy: -9.578
flat angles C4'-P-C4' energy: -2.837
flat angles P-C4'-P energy: -1.979
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -43.335646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.335646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.335646 (E_RNA)
where:
Base-Base interactions energy: -12.242
where: short stacking energy: -12.242
Base-Backbone interact. energy: -0.001
local terms energy: -31.092675
where:
bonds (distance) C4'-P energy: -8.697
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -4.470
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -106.515359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.515359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.515359 (E_RNA)
where:
Base-Base interactions energy: -68.367
where: short stacking energy: -24.832
Base-Backbone interact. energy: -0.771
local terms energy: -37.377340
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -7.560
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -106.506053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.506053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.506053 (E_RNA)
where:
Base-Base interactions energy: -67.701
where: short stacking energy: -23.834
Base-Backbone interact. energy: -0.318
local terms energy: -38.487340
where:
bonds (distance) C4'-P energy: -8.209
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -8.091
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -8.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -94.581346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.581346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.581346 (E_RNA)
where:
Base-Base interactions energy: -60.367
where: short stacking energy: -29.293
Base-Backbone interact. energy: -0.163
local terms energy: -34.051741
where:
bonds (distance) C4'-P energy: -5.370
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -8.094
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -103.457187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.457187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.457187 (E_RNA)
where:
Base-Base interactions energy: -66.500
where: short stacking energy: -28.219
Base-Backbone interact. energy: -2.003
local terms energy: -34.953674
where:
bonds (distance) C4'-P energy: -7.426
bonds (distance) P-C4' energy: -8.545
flat angles C4'-P-C4' energy: -7.823
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -92.583533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.583533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.583533 (E_RNA)
where:
Base-Base interactions energy: -60.698
where: short stacking energy: -25.186
Base-Backbone interact. energy: -0.786
local terms energy: -31.098992
where:
bonds (distance) C4'-P energy: -5.539
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -7.624
flat angles P-C4'-P energy: -2.587
tors. eta vs tors. theta energy: -6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -60.873474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.873474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.873474 (E_RNA)
where:
Base-Base interactions energy: -31.123
where: short stacking energy: -18.726
Base-Backbone interact. energy: -0.006
local terms energy: -29.744397
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -8.146
flat angles C4'-P-C4' energy: -4.758
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -45.939854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.939854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.939854 (E_RNA)
where:
Base-Base interactions energy: -19.843
where: short stacking energy: -19.843
Base-Backbone interact. energy: -0.071
local terms energy: -26.025847
where:
bonds (distance) C4'-P energy: -6.350
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -5.286
flat angles P-C4'-P energy: -2.826
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -52.587820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.587820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.587820 (E_RNA)
where:
Base-Base interactions energy: -26.464
where: short stacking energy: -26.464
Base-Backbone interact. energy: -0.052
local terms energy: -26.072353
where:
bonds (distance) C4'-P energy: -6.955
bonds (distance) P-C4' energy: -6.445
flat angles C4'-P-C4' energy: -1.998
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -4.595
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: 31
Temperature: 1.300000
Total energy: -42.633898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.633898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.633898 (E_RNA)
where:
Base-Base interactions energy: -14.035
where: short stacking energy: -9.989
Base-Backbone interact. energy: -0.006
local terms energy: -28.592876
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -8.211
flat angles C4'-P-C4' energy: -7.830
flat angles P-C4'-P energy: -3.661
tors. eta vs tors. theta energy: -0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -58.967376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.967376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.967376 (E_RNA)
where:
Base-Base interactions energy: -24.727
where: short stacking energy: -15.584
Base-Backbone interact. energy: -0.000
local terms energy: -34.240274
where:
bonds (distance) C4'-P energy: -7.083
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -110.148969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.148969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.148969 (E_RNA)
where:
Base-Base interactions energy: -70.050
where: short stacking energy: -27.754
Base-Backbone interact. energy: -0.735
local terms energy: -39.363457
where:
bonds (distance) C4'-P energy: -8.441
bonds (distance) P-C4' energy: -8.767
flat angles C4'-P-C4' energy: -8.019
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -102.529753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.529753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.529753 (E_RNA)
where:
Base-Base interactions energy: -66.638
where: short stacking energy: -25.652
Base-Backbone interact. energy: -0.421
local terms energy: -35.471481
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -8.397
flat angles C4'-P-C4' energy: -6.663
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -9.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -95.422026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.422026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.422026 (E_RNA)
where:
Base-Base interactions energy: -61.101
where: short stacking energy: -27.545
Base-Backbone interact. energy: -0.195
local terms energy: -34.125612
where:
bonds (distance) C4'-P energy: -4.985
bonds (distance) P-C4' energy: -7.925
flat angles C4'-P-C4' energy: -5.446
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -7.929
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: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -101.770012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.770012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.770012 (E_RNA)
where:
Base-Base interactions energy: -65.103
where: short stacking energy: -27.513
Base-Backbone interact. energy: -0.874
local terms energy: -35.792484
where:
bonds (distance) C4'-P energy: -8.110
bonds (distance) P-C4' energy: -8.379
flat angles C4'-P-C4' energy: -6.603
flat angles P-C4'-P energy: -3.899
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: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -96.969602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.969602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.969602 (E_RNA)
where:
Base-Base interactions energy: -60.500
where: short stacking energy: -27.002
Base-Backbone interact. energy: -0.001
local terms energy: -36.468505
where:
bonds (distance) C4'-P energy: -6.263
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -78.710761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.710761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.710761 (E_RNA)
where:
Base-Base interactions energy: -51.037
where: short stacking energy: -26.299
Base-Backbone interact. energy: -0.016
local terms energy: -27.658095
where:
bonds (distance) C4'-P energy: -7.364
bonds (distance) P-C4' energy: -3.356
flat angles C4'-P-C4' energy: -6.126
flat angles P-C4'-P energy: -4.127
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: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -50.937350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.937350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.937350 (E_RNA)
where:
Base-Base interactions energy: -27.337
where: short stacking energy: -9.222
Base-Backbone interact. energy: -0.617
local terms energy: -22.983360
where:
bonds (distance) C4'-P energy: -3.933
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -7.100
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: 1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -53.064533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.064533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.064533 (E_RNA)
where:
Base-Base interactions energy: -27.758
where: short stacking energy: -16.613
Base-Backbone interact. energy: -0.025
local terms energy: -25.281260
where:
bonds (distance) C4'-P energy: -5.787
bonds (distance) P-C4' energy: -7.336
flat angles C4'-P-C4' energy: -3.701
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -47.129561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.129561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.129561 (E_RNA)
where:
Base-Base interactions energy: -30.075
where: short stacking energy: -20.972
Base-Backbone interact. energy: -0.075
local terms energy: -16.979091
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -7.053
flat angles P-C4'-P energy: 5.673
tors. eta vs tors. theta energy: -1.445
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: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -50.837892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.837892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.837892 (E_RNA)
where:
Base-Base interactions energy: -19.136
where: short stacking energy: -20.311
Base-Backbone interact. energy: -0.384
local terms energy: -31.317851
where:
bonds (distance) C4'-P energy: -6.035
bonds (distance) P-C4' energy: -8.193
flat angles C4'-P-C4' energy: -5.018
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -109.102120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.102120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.102120 (E_RNA)
where:
Base-Base interactions energy: -69.625
where: short stacking energy: -27.903
Base-Backbone interact. energy: -0.683
local terms energy: -38.794220
where:
bonds (distance) C4'-P energy: -8.139
bonds (distance) P-C4' energy: -8.866
flat angles C4'-P-C4' energy: -7.042
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -97.909040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.909040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.909040 (E_RNA)
where:
Base-Base interactions energy: -65.612
where: short stacking energy: -27.924
Base-Backbone interact. energy: -1.396
local terms energy: -30.901724
where:
bonds (distance) C4'-P energy: -7.700
bonds (distance) P-C4' energy: -6.238
flat angles C4'-P-C4' energy: -6.853
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: -5.207
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: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -106.113558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.113558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.113558 (E_RNA)
where:
Base-Base interactions energy: -67.566
where: short stacking energy: -25.744
Base-Backbone interact. energy: -1.364
local terms energy: -37.182920
where:
bonds (distance) C4'-P energy: -6.619
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -7.357
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -9.020
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: 33
Temperature: 1.050000
Total energy: -102.685440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.685440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.685440 (E_RNA)
where:
Base-Base interactions energy: -66.410
where: short stacking energy: -23.938
Base-Backbone interact. energy: -0.098
local terms energy: -36.177835
where:
bonds (distance) C4'-P energy: -7.154
bonds (distance) P-C4' energy: -9.821
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -7.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -102.505080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.505080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.505080 (E_RNA)
where:
Base-Base interactions energy: -70.432
where: short stacking energy: -29.522
Base-Backbone interact. energy: -1.326
local terms energy: -30.746776
where:
bonds (distance) C4'-P energy: -6.603
bonds (distance) P-C4' energy: -7.499
flat angles C4'-P-C4' energy: -6.734
flat angles P-C4'-P energy: -2.561
tors. eta vs tors. theta energy: -7.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -80.766891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.766891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.766891 (E_RNA)
where:
Base-Base interactions energy: -43.994
where: short stacking energy: -18.954
Base-Backbone interact. energy: -0.002
local terms energy: -36.770067
where:
bonds (distance) C4'-P energy: -6.843
bonds (distance) P-C4' energy: -8.440
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -57.473770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.473770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.473770 (E_RNA)
where:
Base-Base interactions energy: -28.046
where: short stacking energy: -16.431
Base-Backbone interact. energy: -0.001
local terms energy: -29.426780
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -4.544
flat angles C4'-P-C4' energy: -4.630
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -48.502155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.502155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.502155 (E_RNA)
where:
Base-Base interactions energy: -20.660
where: short stacking energy: -20.660
Base-Backbone interact. energy: -0.066
local terms energy: -27.775874
where:
bonds (distance) C4'-P energy: -7.294
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -8.045
flat angles P-C4'-P energy: -0.888
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -44.204554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.204554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.204554 (E_RNA)
where:
Base-Base interactions energy: -13.377
where: short stacking energy: -13.377
Base-Backbone interact. energy: -0.025
local terms energy: -30.801953
where:
bonds (distance) C4'-P energy: -8.110
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -40.388058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.388058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.388058 (E_RNA)
where:
Base-Base interactions energy: -10.756
where: short stacking energy: -10.756
Base-Backbone interact. energy: -0.004
local terms energy: -29.628092
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -5.477
flat angles C4'-P-C4' energy: -6.016
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -96.825564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.825564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.825564 (E_RNA)
where:
Base-Base interactions energy: -62.581
where: short stacking energy: -25.497
Base-Backbone interact. energy: -0.755
local terms energy: -33.489041
where:
bonds (distance) C4'-P energy: -8.093
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -7.289
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -106.117885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.117885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.117885 (E_RNA)
where:
Base-Base interactions energy: -69.328
where: short stacking energy: -29.046
Base-Backbone interact. energy: -0.000
local terms energy: -36.789590
where:
bonds (distance) C4'-P energy: -7.336
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -5.404
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -8.487
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: 34
Temperature: 1.000000
Total energy: -105.449998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.449998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.449998 (E_RNA)
where:
Base-Base interactions energy: -70.496
where: short stacking energy: -29.823
Base-Backbone interact. energy: -0.039
local terms energy: -34.915771
where:
bonds (distance) C4'-P energy: -7.684
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -7.225
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -6.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -102.589867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.589867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.589867 (E_RNA)
where:
Base-Base interactions energy: -68.838
where: short stacking energy: -29.704
Base-Backbone interact. energy: -1.141
local terms energy: -32.611075
where:
bonds (distance) C4'-P energy: -7.596
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -6.918
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -100.826654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.826654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.826654 (E_RNA)
where:
Base-Base interactions energy: -65.832
where: short stacking energy: -27.547
Base-Backbone interact. energy: -1.345
local terms energy: -33.650272
where:
bonds (distance) C4'-P energy: -5.563
bonds (distance) P-C4' energy: -6.538
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -82.520365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.520365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.520365 (E_RNA)
where:
Base-Base interactions energy: -47.705
where: short stacking energy: -17.574
Base-Backbone interact. energy: -0.674
local terms energy: -34.141557
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -6.398
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -49.429951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.429951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.429951 (E_RNA)
where:
Base-Base interactions energy: -21.746
where: short stacking energy: -16.855
Base-Backbone interact. energy: -0.390
local terms energy: -27.294075
where:
bonds (distance) C4'-P energy: -6.975
bonds (distance) P-C4' energy: -7.677
flat angles C4'-P-C4' energy: -5.910
flat angles P-C4'-P energy: -3.031
tors. eta vs tors. theta energy: -3.701
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: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -47.753596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.753596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.753596 (E_RNA)
where:
Base-Base interactions energy: -17.397
where: short stacking energy: -17.397
Base-Backbone interact. energy: 0.919
local terms energy: -31.275544
where:
bonds (distance) C4'-P energy: -7.480
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -5.028
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -51.791866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.791866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.791866 (E_RNA)
where:
Base-Base interactions energy: -25.262
where: short stacking energy: -25.262
Base-Backbone interact. energy: -0.021
local terms energy: -26.508530
where:
bonds (distance) C4'-P energy: -3.701
bonds (distance) P-C4' energy: -6.942
flat angles C4'-P-C4' energy: -7.047
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -46.114400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.114400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.114400 (E_RNA)
where:
Base-Base interactions energy: -22.349
where: short stacking energy: -10.234
Base-Backbone interact. energy: -1.135
local terms energy: -22.630261
where:
bonds (distance) C4'-P energy: -7.754
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -6.100
flat angles P-C4'-P energy: -2.193
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: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -96.029021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.029021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.029021 (E_RNA)
where:
Base-Base interactions energy: -58.656
where: short stacking energy: -24.673
Base-Backbone interact. energy: -0.641
local terms energy: -36.732448
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -8.044
flat angles C4'-P-C4' energy: -8.581
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -103.392181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.392181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.392181 (E_RNA)
where:
Base-Base interactions energy: -66.112
where: short stacking energy: -27.157
Base-Backbone interact. energy: -2.031
local terms energy: -35.249754
where:
bonds (distance) C4'-P energy: -6.905
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -7.669
flat angles P-C4'-P energy: -4.747
tors. eta vs tors. theta energy: -7.028
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: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -106.485793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.485793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.485793 (E_RNA)
where:
Base-Base interactions energy: -69.686
where: short stacking energy: -28.246
Base-Backbone interact. energy: -0.251
local terms energy: -36.548645
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -7.359
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -109.782657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.782657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.782657 (E_RNA)
where:
Base-Base interactions energy: -70.433
where: short stacking energy: -29.867
Base-Backbone interact. energy: -2.686
local terms energy: -36.663499
where:
bonds (distance) C4'-P energy: -7.498
bonds (distance) P-C4' energy: -7.842
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -97.738968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.738968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.738968 (E_RNA)
where:
Base-Base interactions energy: -65.735
where: short stacking energy: -25.511
Base-Backbone interact. energy: -0.817
local terms energy: -31.187705
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -6.527
flat angles P-C4'-P energy: -2.812
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -79.982003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.982003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.982003 (E_RNA)
where:
Base-Base interactions energy: -51.246
where: short stacking energy: -18.136
Base-Backbone interact. energy: -0.058
local terms energy: -28.678785
where:
bonds (distance) C4'-P energy: -3.837
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -7.715
flat angles P-C4'-P energy: -3.554
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -53.971401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.971401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.971401 (E_RNA)
where:
Base-Base interactions energy: -24.688
where: short stacking energy: -12.677
Base-Backbone interact. energy: -0.132
local terms energy: -29.151138
where:
bonds (distance) C4'-P energy: -6.370
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -7.288
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -50.092529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.092529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.092529 (E_RNA)
where:
Base-Base interactions energy: -20.212
where: short stacking energy: -17.005
Base-Backbone interact. energy: -0.161
local terms energy: -29.719295
where:
bonds (distance) C4'-P energy: -7.385
bonds (distance) P-C4' energy: -9.578
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -4.127
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -41.267197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.267197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.267197 (E_RNA)
where:
Base-Base interactions energy: -15.559
where: short stacking energy: -12.692
Base-Backbone interact. energy: -0.002
local terms energy: -25.705252
where:
bonds (distance) C4'-P energy: -6.906
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -3.837
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -40.077613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.077613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.077613 (E_RNA)
where:
Base-Base interactions energy: -17.193
where: short stacking energy: -15.952
Base-Backbone interact. energy: -0.133
local terms energy: -22.752197
where:
bonds (distance) C4'-P energy: -5.824
bonds (distance) P-C4' energy: -4.611
flat angles C4'-P-C4' energy: -7.301
flat angles P-C4'-P energy: -3.945
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -107.447525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.447525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.447525 (E_RNA)
where:
Base-Base interactions energy: -72.718
where: short stacking energy: -29.030
Base-Backbone interact. energy: -0.442
local terms energy: -34.287952
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -8.370
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -95.498191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.498191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.498191 (E_RNA)
where:
Base-Base interactions energy: -62.723
where: short stacking energy: -25.083
Base-Backbone interact. energy: -0.003
local terms energy: -32.771985
where:
bonds (distance) C4'-P energy: -8.085
bonds (distance) P-C4' energy: -8.204
flat angles C4'-P-C4' energy: -7.505
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -103.423932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.423932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.423932 (E_RNA)
where:
Base-Base interactions energy: -67.812
where: short stacking energy: -31.888
Base-Backbone interact. energy: -0.002
local terms energy: -35.610097
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -6.520
flat angles C4'-P-C4' energy: -7.722
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -99.294345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.294345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.294345 (E_RNA)
where:
Base-Base interactions energy: -67.955
where: short stacking energy: -28.740
Base-Backbone interact. energy: -1.169
local terms energy: -30.170293
where:
bonds (distance) C4'-P energy: -5.447
bonds (distance) P-C4' energy: -6.403
flat angles C4'-P-C4' energy: -6.879
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -7.781
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: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -99.781162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.781162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.781162 (E_RNA)
where:
Base-Base interactions energy: -66.778
where: short stacking energy: -25.291
Base-Backbone interact. energy: -0.094
local terms energy: -32.909916
where:
bonds (distance) C4'-P energy: -6.242
bonds (distance) P-C4' energy: -7.557
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -2.529
tors. eta vs tors. theta energy: -7.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -65.055038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.055038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.055038 (E_RNA)
where:
Base-Base interactions energy: -33.888
where: short stacking energy: -17.346
Base-Backbone interact. energy: -0.396
local terms energy: -30.771314
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -7.367
flat angles C4'-P-C4' energy: -7.693
flat angles P-C4'-P energy: -1.934
tors. eta vs tors. theta energy: -5.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -52.947078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.947078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.947078 (E_RNA)
where:
Base-Base interactions energy: -20.304
where: short stacking energy: -20.304
Base-Backbone interact. energy: -0.000
local terms energy: -32.643465
where:
bonds (distance) C4'-P energy: -6.868
bonds (distance) P-C4' energy: -8.372
flat angles C4'-P-C4' energy: -7.749
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -52.830118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.830118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.830118 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -19.984
Base-Backbone interact. energy: -0.013
local terms energy: -22.587906
where:
bonds (distance) C4'-P energy: -5.373
bonds (distance) P-C4' energy: -7.361
flat angles C4'-P-C4' energy: -5.433
flat angles P-C4'-P energy: -1.578
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -45.746482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.746482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.746482 (E_RNA)
where:
Base-Base interactions energy: -14.849
where: short stacking energy: -14.849
Base-Backbone interact. energy: -0.005
local terms energy: -30.892197
where:
bonds (distance) C4'-P energy: -8.325
bonds (distance) P-C4' energy: -7.753
flat angles C4'-P-C4' energy: -6.665
flat angles P-C4'-P energy: -5.208
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: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -55.734793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.734793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.734793 (E_RNA)
where:
Base-Base interactions energy: -41.283
where: short stacking energy: -11.584
Base-Backbone interact. energy: -0.401
local terms energy: -14.050182
where:
bonds (distance) C4'-P energy: -3.143
bonds (distance) P-C4' energy: -4.183
flat angles C4'-P-C4' energy: -5.860
flat angles P-C4'-P energy: -1.812
tors. eta vs tors. theta energy: 0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -106.892407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.892407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.892407 (E_RNA)
where:
Base-Base interactions energy: -71.535
where: short stacking energy: -28.781
Base-Backbone interact. energy: -0.015
local terms energy: -35.341569
where:
bonds (distance) C4'-P energy: -7.261
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -107.196729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.196729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.196729 (E_RNA)
where:
Base-Base interactions energy: -72.237
where: short stacking energy: -28.351
Base-Backbone interact. energy: -1.020
local terms energy: -33.939343
where:
bonds (distance) C4'-P energy: -6.773
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -6.387
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -7.550
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: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -97.079381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.079381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.079381 (E_RNA)
where:
Base-Base interactions energy: -64.402
where: short stacking energy: -26.896
Base-Backbone interact. energy: -1.153
local terms energy: -31.524234
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -7.091
flat angles C4'-P-C4' energy: -7.656
flat angles P-C4'-P energy: -5.397
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: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -106.795806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.795806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.795806 (E_RNA)
where:
Base-Base interactions energy: -71.508
where: short stacking energy: -30.112
Base-Backbone interact. energy: -1.380
local terms energy: -33.907832
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -8.630
flat angles C4'-P-C4' energy: -3.892
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -94.104182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.104182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.104182 (E_RNA)
where:
Base-Base interactions energy: -62.308
where: short stacking energy: -27.271
Base-Backbone interact. energy: 0.139
local terms energy: -31.934439
where:
bonds (distance) C4'-P energy: -5.361
bonds (distance) P-C4' energy: -7.696
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -59.955929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.955929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.955929 (E_RNA)
where:
Base-Base interactions energy: -26.048
where: short stacking energy: -20.337
Base-Backbone interact. energy: -0.001
local terms energy: -33.906711
where:
bonds (distance) C4'-P energy: -7.274
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -8.555
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -5.779
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: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -51.071945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.071945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.071945 (E_RNA)
where:
Base-Base interactions energy: -21.662
where: short stacking energy: -21.662
Base-Backbone interact. energy: -0.006
local terms energy: -29.404438
where:
bonds (distance) C4'-P energy: -7.712
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -6.408
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -1.747
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: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -49.540891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.540891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.540891 (E_RNA)
where:
Base-Base interactions energy: -24.457
where: short stacking energy: -17.811
Base-Backbone interact. energy: -0.002
local terms energy: -25.081588
where:
bonds (distance) C4'-P energy: -4.247
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -6.758
flat angles P-C4'-P energy: -3.479
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: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -45.856605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.856605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.856605 (E_RNA)
where:
Base-Base interactions energy: -18.514
where: short stacking energy: -18.514
Base-Backbone interact. energy: -0.005
local terms energy: -27.337242
where:
bonds (distance) C4'-P energy: -7.604
bonds (distance) P-C4' energy: -5.742
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: 0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -51.396243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.396243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.396243 (E_RNA)
where:
Base-Base interactions energy: -24.736
where: short stacking energy: -24.736
Base-Backbone interact. energy: -0.013
local terms energy: -26.647239
where:
bonds (distance) C4'-P energy: -5.100
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -1.211
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -108.302802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.302802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.302802 (E_RNA)
where:
Base-Base interactions energy: -70.043
where: short stacking energy: -28.545
Base-Backbone interact. energy: -0.028
local terms energy: -38.232317
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -9.134
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -103.482342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.482342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.482342 (E_RNA)
where:
Base-Base interactions energy: -66.508
where: short stacking energy: -27.577
Base-Backbone interact. energy: -1.021
local terms energy: -35.953048
where:
bonds (distance) C4'-P energy: -7.444
bonds (distance) P-C4' energy: -8.312
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: -6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -107.243631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.243631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.243631 (E_RNA)
where:
Base-Base interactions energy: -72.961
where: short stacking energy: -30.955
Base-Backbone interact. energy: -0.946
local terms energy: -33.336692
where:
bonds (distance) C4'-P energy: -6.309
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -90.630237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.630237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.630237 (E_RNA)
where:
Base-Base interactions energy: -60.017
where: short stacking energy: -25.425
Base-Backbone interact. energy: -0.005
local terms energy: -30.608061
where:
bonds (distance) C4'-P energy: -7.480
bonds (distance) P-C4' energy: -7.587
flat angles C4'-P-C4' energy: -6.220
flat angles P-C4'-P energy: -3.557
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: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -100.636350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.636350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.636350 (E_RNA)
where:
Base-Base interactions energy: -63.790
where: short stacking energy: -28.784
Base-Backbone interact. energy: -0.468
local terms energy: -36.378850
where:
bonds (distance) C4'-P energy: -7.410
bonds (distance) P-C4' energy: -8.379
flat angles C4'-P-C4' energy: -6.809
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -8.478
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: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -47.557715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.557715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.557715 (E_RNA)
where:
Base-Base interactions energy: -21.229
where: short stacking energy: -21.229
Base-Backbone interact. energy: -0.006
local terms energy: -26.322929
where:
bonds (distance) C4'-P energy: -4.860
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -56.803134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.803134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.803134 (E_RNA)
where:
Base-Base interactions energy: -24.603
where: short stacking energy: -19.211
Base-Backbone interact. energy: -0.095
local terms energy: -32.105543
where:
bonds (distance) C4'-P energy: -7.480
bonds (distance) P-C4' energy: -8.541
flat angles C4'-P-C4' energy: -7.542
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -54.692994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.692994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.692994 (E_RNA)
where:
Base-Base interactions energy: -21.746
where: short stacking energy: -21.746
Base-Backbone interact. energy: -0.087
local terms energy: -32.859632
where:
bonds (distance) C4'-P energy: -7.464
bonds (distance) P-C4' energy: -9.578
flat angles C4'-P-C4' energy: -6.428
flat angles P-C4'-P energy: -3.608
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: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -49.888333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.888333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.888333 (E_RNA)
where:
Base-Base interactions energy: -20.977
where: short stacking energy: -20.977
Base-Backbone interact. energy: -0.001
local terms energy: -28.910649
where:
bonds (distance) C4'-P energy: -6.938
bonds (distance) P-C4' energy: -6.776
flat angles C4'-P-C4' energy: -5.973
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -44.635835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.635835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.635835 (E_RNA)
where:
Base-Base interactions energy: -16.560
where: short stacking energy: -16.560
Base-Backbone interact. energy: -0.036
local terms energy: -28.039830
where:
bonds (distance) C4'-P energy: -7.373
bonds (distance) P-C4' energy: -9.550
flat angles C4'-P-C4' energy: -5.750
flat angles P-C4'-P energy: -5.847
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: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -107.287154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.287154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.287154 (E_RNA)
where:
Base-Base interactions energy: -69.762
where: short stacking energy: -27.941
Base-Backbone interact. energy: -0.511
local terms energy: -37.014177
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -5.986
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -7.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -109.792885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.792885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.792885 (E_RNA)
where:
Base-Base interactions energy: -70.040
where: short stacking energy: -28.966
Base-Backbone interact. energy: -1.714
local terms energy: -38.039112
where:
bonds (distance) C4'-P energy: -6.148
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -7.759
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -9.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -102.259820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.259820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.259820 (E_RNA)
where:
Base-Base interactions energy: -65.425
where: short stacking energy: -24.321
Base-Backbone interact. energy: -0.580
local terms energy: -36.254324
where:
bonds (distance) C4'-P energy: -4.151
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -8.249
flat angles P-C4'-P energy: -7.660
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: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -102.554679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.554679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.554679 (E_RNA)
where:
Base-Base interactions energy: -65.802
where: short stacking energy: -24.834
Base-Backbone interact. energy: -0.044
local terms energy: -36.709250
where:
bonds (distance) C4'-P energy: -7.916
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -6.718
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -7.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -92.104196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.104196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.104196 (E_RNA)
where:
Base-Base interactions energy: -58.782
where: short stacking energy: -23.328
Base-Backbone interact. energy: -1.515
local terms energy: -31.807533
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -8.178
flat angles C4'-P-C4' energy: -5.332
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -53.074389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.074389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.074389 (E_RNA)
where:
Base-Base interactions energy: -22.773
where: short stacking energy: -22.108
Base-Backbone interact. energy: -0.098
local terms energy: -30.203771
where:
bonds (distance) C4'-P energy: -6.715
bonds (distance) P-C4' energy: -8.354
flat angles C4'-P-C4' energy: -5.782
flat angles P-C4'-P energy: -2.914
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: 7, replica: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -45.677014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.677014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.677014 (E_RNA)
where:
Base-Base interactions energy: -23.173
where: short stacking energy: -23.173
Base-Backbone interact. energy: -0.056
local terms energy: -22.447913
where:
bonds (distance) C4'-P energy: -6.078
bonds (distance) P-C4' energy: -5.105
flat angles C4'-P-C4' energy: -3.665
flat angles P-C4'-P energy: -4.360
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: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -52.140717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.140717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.140717 (E_RNA)
where:
Base-Base interactions energy: -28.206
where: short stacking energy: -19.104
Base-Backbone interact. energy: -0.032
local terms energy: -23.902859
where:
bonds (distance) C4'-P energy: -5.448
bonds (distance) P-C4' energy: -8.020
flat angles C4'-P-C4' energy: -3.206
flat angles P-C4'-P energy: -4.146
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -47.733661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.733661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.733661 (E_RNA)
where:
Base-Base interactions energy: -23.787
where: short stacking energy: -23.787
Base-Backbone interact. energy: 0.410
local terms energy: -24.357388
where:
bonds (distance) C4'-P energy: -5.978
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -6.962
flat angles P-C4'-P energy: -2.340
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -42.835513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.835513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.835513 (E_RNA)
where:
Base-Base interactions energy: -16.167
where: short stacking energy: -16.167
Base-Backbone interact. energy: -0.007
local terms energy: -26.661988
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -7.752
flat angles C4'-P-C4' energy: -5.396
flat angles P-C4'-P energy: -3.419
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -106.648907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.648907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.648907 (E_RNA)
where:
Base-Base interactions energy: -69.248
where: short stacking energy: -33.678
Base-Backbone interact. energy: -0.005
local terms energy: -37.396145
where:
bonds (distance) C4'-P energy: -7.435
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -103.606462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.606462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.606462 (E_RNA)
where:
Base-Base interactions energy: -68.130
where: short stacking energy: -27.005
Base-Backbone interact. energy: -0.004
local terms energy: -35.472251
where:
bonds (distance) C4'-P energy: -7.526
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -7.312
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -105.826537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.826537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.826537 (E_RNA)
where:
Base-Base interactions energy: -70.460
where: short stacking energy: -30.117
Base-Backbone interact. energy: -0.740
local terms energy: -34.626042
where:
bonds (distance) C4'-P energy: -7.542
bonds (distance) P-C4' energy: -7.520
flat angles C4'-P-C4' energy: -7.408
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -95.339084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.339084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.339084 (E_RNA)
where:
Base-Base interactions energy: -61.721
where: short stacking energy: -26.580
Base-Backbone interact. energy: -0.160
local terms energy: -33.458162
where:
bonds (distance) C4'-P energy: -7.381
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -8.316
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -6.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -100.255595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.255595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.255595 (E_RNA)
where:
Base-Base interactions energy: -66.477
where: short stacking energy: -26.569
Base-Backbone interact. energy: -0.082
local terms energy: -33.695806
where:
bonds (distance) C4'-P energy: -6.321
bonds (distance) P-C4' energy: -6.804
flat angles C4'-P-C4' energy: -5.802
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -9.015
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: 40
Temperature: 1.150000
Total energy: -59.013357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.013357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.013357 (E_RNA)
where:
Base-Base interactions energy: -26.198
where: short stacking energy: -26.198
Base-Backbone interact. energy: -0.025
local terms energy: -32.790108
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -7.913
flat angles C4'-P-C4' energy: -5.628
flat angles P-C4'-P energy: -5.227
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -55.398419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.398419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.398419 (E_RNA)
where:
Base-Base interactions energy: -28.612
where: short stacking energy: -28.612
Base-Backbone interact. energy: -0.000
local terms energy: -26.786521
where:
bonds (distance) C4'-P energy: -5.857
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -5.854
flat angles P-C4'-P energy: 0.920
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -47.700097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.700097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.700097 (E_RNA)
where:
Base-Base interactions energy: -20.583
where: short stacking energy: -21.031
Base-Backbone interact. energy: 1.097
local terms energy: -28.213889
where:
bonds (distance) C4'-P energy: -6.267
bonds (distance) P-C4' energy: -6.261
flat angles C4'-P-C4' energy: -4.253
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -50.143860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.143860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.143860 (E_RNA)
where:
Base-Base interactions energy: -26.113
where: short stacking energy: -26.113
Base-Backbone interact. energy: 0.139
local terms energy: -24.169629
where:
bonds (distance) C4'-P energy: -0.757
bonds (distance) P-C4' energy: -7.625
flat angles C4'-P-C4' energy: -4.359
flat angles P-C4'-P energy: -5.373
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: 40
Temperature: 1.350000
Total energy: -43.137274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.137274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.137274 (E_RNA)
where:
Base-Base interactions energy: -17.343
where: short stacking energy: -16.428
Base-Backbone interact. energy: -0.000
local terms energy: -25.793995
where:
bonds (distance) C4'-P energy: -4.110
bonds (distance) P-C4' energy: -6.357
flat angles C4'-P-C4' energy: -6.256
flat angles P-C4'-P energy: -4.600
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -104.655777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.655777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.655777 (E_RNA)
where:
Base-Base interactions energy: -69.491
where: short stacking energy: -25.436
Base-Backbone interact. energy: -0.050
local terms energy: -35.114826
where:
bonds (distance) C4'-P energy: -7.294
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -6.416
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -98.544711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.544711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.544711 (E_RNA)
where:
Base-Base interactions energy: -72.395
where: short stacking energy: -31.158
Base-Backbone interact. energy: -0.007
local terms energy: -26.142360
where:
bonds (distance) C4'-P energy: -2.518
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -7.130
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: -6.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -104.396926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.396926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.396926 (E_RNA)
where:
Base-Base interactions energy: -68.251
where: short stacking energy: -24.574
Base-Backbone interact. energy: -1.081
local terms energy: -35.064513
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -8.644
flat angles C4'-P-C4' energy: -5.293
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -9.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -102.339250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.339250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.339250 (E_RNA)
where:
Base-Base interactions energy: -66.112
where: short stacking energy: -28.770
Base-Backbone interact. energy: -0.424
local terms energy: -35.803327
where:
bonds (distance) C4'-P energy: -8.156
bonds (distance) P-C4' energy: -7.883
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -97.377836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.377836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.377836 (E_RNA)
where:
Base-Base interactions energy: -65.123
where: short stacking energy: -26.105
Base-Backbone interact. energy: -0.960
local terms energy: -31.294976
where:
bonds (distance) C4'-P energy: -7.588
bonds (distance) P-C4' energy: -5.321
flat angles C4'-P-C4' energy: -5.652
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -57.059176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.059176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.059176 (E_RNA)
where:
Base-Base interactions energy: -24.491
where: short stacking energy: -24.491
Base-Backbone interact. energy: -0.000
local terms energy: -32.568278
where:
bonds (distance) C4'-P energy: -6.085
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -5.641
flat angles P-C4'-P energy: -6.077
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: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -49.656633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.656633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.656633 (E_RNA)
where:
Base-Base interactions energy: -22.484
where: short stacking energy: -21.086
Base-Backbone interact. energy: -0.106
local terms energy: -27.066041
where:
bonds (distance) C4'-P energy: -6.069
bonds (distance) P-C4' energy: -7.873
flat angles C4'-P-C4' energy: -7.722
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: 0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -45.027516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.027516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.027516 (E_RNA)
where:
Base-Base interactions energy: -19.426
where: short stacking energy: -19.426
Base-Backbone interact. energy: -0.001
local terms energy: -25.601001
where:
bonds (distance) C4'-P energy: -7.712
bonds (distance) P-C4' energy: -8.186
flat angles C4'-P-C4' energy: -5.618
flat angles P-C4'-P energy: -0.707
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: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -47.349195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.349195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.349195 (E_RNA)
where:
Base-Base interactions energy: -20.776
where: short stacking energy: -20.776
Base-Backbone interact. energy: -0.006
local terms energy: -26.568080
where:
bonds (distance) C4'-P energy: -6.992
bonds (distance) P-C4' energy: -3.934
flat angles C4'-P-C4' energy: -6.848
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -43.733196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.733196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.733196 (E_RNA)
where:
Base-Base interactions energy: -16.505
where: short stacking energy: -16.505
Base-Backbone interact. energy: -0.189
local terms energy: -27.039474
where:
bonds (distance) C4'-P energy: -6.309
bonds (distance) P-C4' energy: -7.809
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: 0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -109.739821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.739821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.739821 (E_RNA)
where:
Base-Base interactions energy: -70.643
where: short stacking energy: -28.520
Base-Backbone interact. energy: -1.430
local terms energy: -37.666880
where:
bonds (distance) C4'-P energy: -7.464
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -7.785
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -109.734551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.734551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.734551 (E_RNA)
where:
Base-Base interactions energy: -68.656
where: short stacking energy: -27.727
Base-Backbone interact. energy: -0.433
local terms energy: -40.645484
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -7.633
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: -9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -106.914020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.914020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.914020 (E_RNA)
where:
Base-Base interactions energy: -70.955
where: short stacking energy: -30.747
Base-Backbone interact. energy: -1.952
local terms energy: -34.007254
where:
bonds (distance) C4'-P energy: -7.816
bonds (distance) P-C4' energy: -7.756
flat angles C4'-P-C4' energy: -5.495
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -8.757
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: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -102.835109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.835109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.835109 (E_RNA)
where:
Base-Base interactions energy: -67.033
where: short stacking energy: -27.829
Base-Backbone interact. energy: -0.571
local terms energy: -35.231518
where:
bonds (distance) C4'-P energy: -7.952
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -6.103
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -99.896753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.896753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.896753 (E_RNA)
where:
Base-Base interactions energy: -66.181
where: short stacking energy: -27.418
Base-Backbone interact. energy: -1.086
local terms energy: -32.629412
where:
bonds (distance) C4'-P energy: -7.490
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -3.129
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -45.082699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.082699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.082699 (E_RNA)
where:
Base-Base interactions energy: -16.897
where: short stacking energy: -16.897
Base-Backbone interact. energy: -0.035
local terms energy: -28.151291
where:
bonds (distance) C4'-P energy: -6.499
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -6.404
flat angles P-C4'-P energy: -2.343
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -56.024538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.024538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.024538 (E_RNA)
where:
Base-Base interactions energy: -24.608
where: short stacking energy: -24.608
Base-Backbone interact. energy: -0.000
local terms energy: -31.415746
where:
bonds (distance) C4'-P energy: -4.790
bonds (distance) P-C4' energy: -7.425
flat angles C4'-P-C4' energy: -6.145
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -43.590548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.590548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.590548 (E_RNA)
where:
Base-Base interactions energy: -18.056
where: short stacking energy: -18.056
Base-Backbone interact. energy: -0.001
local terms energy: -25.533641
where:
bonds (distance) C4'-P energy: -6.338
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -7.313
flat angles P-C4'-P energy: -1.625
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -46.283941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.283941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.283941 (E_RNA)
where:
Base-Base interactions energy: -21.063
where: short stacking energy: -21.063
Base-Backbone interact. energy: -0.119
local terms energy: -25.102239
where:
bonds (distance) C4'-P energy: -4.196
bonds (distance) P-C4' energy: -6.839
flat angles C4'-P-C4' energy: -5.461
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: -3.773
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: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -45.956203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.956203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.956203 (E_RNA)
where:
Base-Base interactions energy: -17.869
where: short stacking energy: -17.869
Base-Backbone interact. energy: -0.002
local terms energy: -28.085133
where:
bonds (distance) C4'-P energy: -2.607
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -5.281
flat angles P-C4'-P energy: -5.721
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: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -108.423310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.423310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.423310 (E_RNA)
where:
Base-Base interactions energy: -70.866
where: short stacking energy: -27.343
Base-Backbone interact. energy: -0.919
local terms energy: -36.638424
where:
bonds (distance) C4'-P energy: -7.418
bonds (distance) P-C4' energy: -6.343
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -98.911799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.911799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.911799 (E_RNA)
where:
Base-Base interactions energy: -66.616
where: short stacking energy: -23.869
Base-Backbone interact. energy: -0.332
local terms energy: -31.963413
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -6.103
flat angles P-C4'-P energy: -2.058
tors. eta vs tors. theta energy: -5.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -102.625741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.625741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.625741 (E_RNA)
where:
Base-Base interactions energy: -66.907
where: short stacking energy: -28.266
Base-Backbone interact. energy: -0.324
local terms energy: -35.394591
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -7.587
flat angles C4'-P-C4' energy: -5.286
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -100.739480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.739480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.739480 (E_RNA)
where:
Base-Base interactions energy: -66.464
where: short stacking energy: -24.353
Base-Backbone interact. energy: -1.410
local terms energy: -32.865183
where:
bonds (distance) C4'-P energy: -5.625
bonds (distance) P-C4' energy: -8.597
flat angles C4'-P-C4' energy: -6.024
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -99.223464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.223464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.223464 (E_RNA)
where:
Base-Base interactions energy: -65.984
where: short stacking energy: -28.476
Base-Backbone interact. energy: -0.367
local terms energy: -32.871803
where:
bonds (distance) C4'-P energy: -7.977
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -8.035
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -54.367403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.367403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.367403 (E_RNA)
where:
Base-Base interactions energy: -29.014
where: short stacking energy: -22.535
Base-Backbone interact. energy: 0.985
local terms energy: -26.338177
where:
bonds (distance) C4'-P energy: -7.679
bonds (distance) P-C4' energy: -7.481
flat angles C4'-P-C4' energy: -3.130
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -45.493145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.493145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.493145 (E_RNA)
where:
Base-Base interactions energy: -19.971
where: short stacking energy: -9.851
Base-Backbone interact. energy: -0.018
local terms energy: -25.504314
where:
bonds (distance) C4'-P energy: -8.218
bonds (distance) P-C4' energy: -6.846
flat angles C4'-P-C4' energy: -6.448
flat angles P-C4'-P energy: -6.031
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: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -54.378259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.378259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.378259 (E_RNA)
where:
Base-Base interactions energy: -21.167
where: short stacking energy: -21.167
Base-Backbone interact. energy: -0.009
local terms energy: -33.202588
where:
bonds (distance) C4'-P energy: -8.218
bonds (distance) P-C4' energy: -7.749
flat angles C4'-P-C4' energy: -7.767
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -3.350
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: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -51.216545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.216545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.216545 (E_RNA)
where:
Base-Base interactions energy: -21.533
where: short stacking energy: -21.533
Base-Backbone interact. energy: -0.006
local terms energy: -29.677566
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -6.547
flat angles C4'-P-C4' energy: -7.791
flat angles P-C4'-P energy: -3.290
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -49.600482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.600482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.600482 (E_RNA)
where:
Base-Base interactions energy: -20.547
where: short stacking energy: -20.547
Base-Backbone interact. energy: -0.000
local terms energy: -29.053681
where:
bonds (distance) C4'-P energy: -7.559
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -6.731
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -106.465446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.465446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.465446 (E_RNA)
where:
Base-Base interactions energy: -69.948
where: short stacking energy: -29.692
Base-Backbone interact. energy: -0.531
local terms energy: -35.985984
where:
bonds (distance) C4'-P energy: -7.203
bonds (distance) P-C4' energy: -8.376
flat angles C4'-P-C4' energy: -8.315
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -7.530
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: 44
Temperature: 0.950000
Total energy: -103.225485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.225485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.225485 (E_RNA)
where:
Base-Base interactions energy: -66.970
where: short stacking energy: -29.638
Base-Backbone interact. energy: -0.000
local terms energy: -36.255547
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -9.131
flat angles C4'-P-C4' energy: -8.259
flat angles P-C4'-P energy: -4.727
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: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -106.681578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.681578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.681578 (E_RNA)
where:
Base-Base interactions energy: -69.037
where: short stacking energy: -28.469
Base-Backbone interact. energy: -1.149
local terms energy: -36.495274
where:
bonds (distance) C4'-P energy: -7.203
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -5.736
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -100.418340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.418340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.418340 (E_RNA)
where:
Base-Base interactions energy: -68.729
where: short stacking energy: -27.463
Base-Backbone interact. energy: -0.098
local terms energy: -31.591526
where:
bonds (distance) C4'-P energy: -7.811
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -7.185
flat angles P-C4'-P energy: -1.809
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -100.263810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.263810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.263810 (E_RNA)
where:
Base-Base interactions energy: -68.492
where: short stacking energy: -24.995
Base-Backbone interact. energy: -0.013
local terms energy: -31.759455
where:
bonds (distance) C4'-P energy: -6.106
bonds (distance) P-C4' energy: -5.744
flat angles C4'-P-C4' energy: -7.560
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -7.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -55.830360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.830360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.830360 (E_RNA)
where:
Base-Base interactions energy: -20.249
where: short stacking energy: -20.249
Base-Backbone interact. energy: -0.003
local terms energy: -35.578140
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -8.097
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -5.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -57.373270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.373270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.373270 (E_RNA)
where:
Base-Base interactions energy: -28.607
where: short stacking energy: -22.217
Base-Backbone interact. energy: -0.003
local terms energy: -28.763476
where:
bonds (distance) C4'-P energy: -7.650
bonds (distance) P-C4' energy: -4.920
flat angles C4'-P-C4' energy: -5.742
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -47.372474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.372474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.372474 (E_RNA)
where:
Base-Base interactions energy: -16.665
where: short stacking energy: -16.665
Base-Backbone interact. energy: -0.032
local terms energy: -30.675445
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -6.761
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -45.647217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.647217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.647217 (E_RNA)
where:
Base-Base interactions energy: -20.356
where: short stacking energy: -20.356
Base-Backbone interact. energy: -0.002
local terms energy: -25.289517
where:
bonds (distance) C4'-P energy: -4.586
bonds (distance) P-C4' energy: -5.116
flat angles C4'-P-C4' energy: -8.090
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -1.490
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: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -48.409435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.409435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.409435 (E_RNA)
where:
Base-Base interactions energy: -21.955
where: short stacking energy: -18.123
Base-Backbone interact. energy: -0.011
local terms energy: -26.444323
where:
bonds (distance) C4'-P energy: -4.935
bonds (distance) P-C4' energy: -5.923
flat angles C4'-P-C4' energy: -7.992
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -102.923139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.923139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.923139 (E_RNA)
where:
Base-Base interactions energy: -67.326
where: short stacking energy: -30.309
Base-Backbone interact. energy: -0.001
local terms energy: -35.596556
where:
bonds (distance) C4'-P energy: -7.377
bonds (distance) P-C4' energy: -8.171
flat angles C4'-P-C4' energy: -7.898
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -6.028
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: 45
Temperature: 0.950000
Total energy: -103.337318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.337318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.337318 (E_RNA)
where:
Base-Base interactions energy: -64.070
where: short stacking energy: -26.716
Base-Backbone interact. energy: -0.457
local terms energy: -38.809650
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -8.066
flat angles P-C4'-P energy: -6.933
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: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -102.970828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.970828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.970828 (E_RNA)
where:
Base-Base interactions energy: -70.473
where: short stacking energy: -25.555
Base-Backbone interact. energy: -0.346
local terms energy: -32.152125
where:
bonds (distance) C4'-P energy: -7.356
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -8.100
flat angles P-C4'-P energy: -2.087
tors. eta vs tors. theta energy: -7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -105.058035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.058035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.058035 (E_RNA)
where:
Base-Base interactions energy: -68.831
where: short stacking energy: -29.282
Base-Backbone interact. energy: -0.257
local terms energy: -35.970360
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -8.898
flat angles C4'-P-C4' energy: -7.022
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -102.744411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.744411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.744411 (E_RNA)
where:
Base-Base interactions energy: -73.234
where: short stacking energy: -28.610
Base-Backbone interact. energy: -0.467
local terms energy: -29.043875
where:
bonds (distance) C4'-P energy: -6.201
bonds (distance) P-C4' energy: -3.854
flat angles C4'-P-C4' energy: -6.173
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -48.556208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.556208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.556208 (E_RNA)
where:
Base-Base interactions energy: -20.883
where: short stacking energy: -16.996
Base-Backbone interact. energy: -0.009
local terms energy: -27.664587
where:
bonds (distance) C4'-P energy: -5.725
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -8.778
flat angles P-C4'-P energy: -5.196
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: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -47.660851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.660851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.660851 (E_RNA)
where:
Base-Base interactions energy: -20.913
where: short stacking energy: -20.913
Base-Backbone interact. energy: -0.052
local terms energy: -26.695391
where:
bonds (distance) C4'-P energy: -7.455
bonds (distance) P-C4' energy: -7.331
flat angles C4'-P-C4' energy: -3.243
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -47.179745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.179745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.179745 (E_RNA)
where:
Base-Base interactions energy: -24.004
where: short stacking energy: -24.004
Base-Backbone interact. energy: -0.072
local terms energy: -23.103398
where:
bonds (distance) C4'-P energy: -4.814
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -4.017
flat angles P-C4'-P energy: -2.584
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: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -46.775853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.775853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.775853 (E_RNA)
where:
Base-Base interactions energy: -21.062
where: short stacking energy: -18.201
Base-Backbone interact. energy: -0.001
local terms energy: -25.712981
where:
bonds (distance) C4'-P energy: -4.720
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -7.583
flat angles P-C4'-P energy: -2.192
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -48.285980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.285980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.285980 (E_RNA)
where:
Base-Base interactions energy: -23.631
where: short stacking energy: -8.322
Base-Backbone interact. energy: -0.163
local terms energy: -24.492343
where:
bonds (distance) C4'-P energy: -5.895
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -5.706
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -109.457876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.457876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.457876 (E_RNA)
where:
Base-Base interactions energy: -75.685
where: short stacking energy: -31.847
Base-Backbone interact. energy: -0.098
local terms energy: -33.675045
where:
bonds (distance) C4'-P energy: -6.628
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.968
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -9.564
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: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -107.002423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.002423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.002423 (E_RNA)
where:
Base-Base interactions energy: -70.546
where: short stacking energy: -28.430
Base-Backbone interact. energy: -2.081
local terms energy: -34.375743
where:
bonds (distance) C4'-P energy: -5.058
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -7.247
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -101.788614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.788614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.788614 (E_RNA)
where:
Base-Base interactions energy: -68.603
where: short stacking energy: -27.214
Base-Backbone interact. energy: -0.552
local terms energy: -32.633666
where:
bonds (distance) C4'-P energy: -6.475
bonds (distance) P-C4' energy: -7.459
flat angles C4'-P-C4' energy: -8.299
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -98.891641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.891641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.891641 (E_RNA)
where:
Base-Base interactions energy: -66.067
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.326
local terms energy: -32.498431
where:
bonds (distance) C4'-P energy: -6.946
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -6.765
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -104.836723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.836723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.836723 (E_RNA)
where:
Base-Base interactions energy: -69.402
where: short stacking energy: -28.649
Base-Backbone interact. energy: -0.296
local terms energy: -35.138573
where:
bonds (distance) C4'-P energy: -7.294
bonds (distance) P-C4' energy: -7.720
flat angles C4'-P-C4' energy: -7.326
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -47.204198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.204198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.204198 (E_RNA)
where:
Base-Base interactions energy: -20.219
where: short stacking energy: -20.219
Base-Backbone interact. energy: -0.005
local terms energy: -26.979717
where:
bonds (distance) C4'-P energy: -7.534
bonds (distance) P-C4' energy: -7.463
flat angles C4'-P-C4' energy: -4.543
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -51.214438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.214438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.214438 (E_RNA)
where:
Base-Base interactions energy: -20.742
where: short stacking energy: -14.564
Base-Backbone interact. energy: -0.024
local terms energy: -30.448160
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -48.774920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.774920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.774920 (E_RNA)
where:
Base-Base interactions energy: -20.895
where: short stacking energy: -19.996
Base-Backbone interact. energy: -0.030
local terms energy: -27.849871
where:
bonds (distance) C4'-P energy: -7.373
bonds (distance) P-C4' energy: -6.790
flat angles C4'-P-C4' energy: -5.830
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -44.690398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.690398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.690398 (E_RNA)
where:
Base-Base interactions energy: -16.568
where: short stacking energy: -16.568
Base-Backbone interact. energy: -0.086
local terms energy: -28.036972
where:
bonds (distance) C4'-P energy: -6.992
bonds (distance) P-C4' energy: -7.095
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -40.537871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.537871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.537871 (E_RNA)
where:
Base-Base interactions energy: -13.847
where: short stacking energy: -13.847
Base-Backbone interact. energy: -0.083
local terms energy: -26.607307
where:
bonds (distance) C4'-P energy: -6.611
bonds (distance) P-C4' energy: -8.870
flat angles C4'-P-C4' energy: -4.624
flat angles P-C4'-P energy: -3.622
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: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -109.199551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.199551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.199551 (E_RNA)
where:
Base-Base interactions energy: -74.195
where: short stacking energy: -30.596
Base-Backbone interact. energy: -0.001
local terms energy: -35.004388
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -6.212
flat angles C4'-P-C4' energy: -7.135
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -105.137915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.137915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.137915 (E_RNA)
where:
Base-Base interactions energy: -68.147
where: short stacking energy: -27.584
Base-Backbone interact. energy: -2.016
local terms energy: -34.974997
where:
bonds (distance) C4'-P energy: -6.185
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -4.901
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: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -105.138374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.138374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.138374 (E_RNA)
where:
Base-Base interactions energy: -69.087
where: short stacking energy: -34.413
Base-Backbone interact. energy: -0.003
local terms energy: -36.048721
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -103.594241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.594241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.594241 (E_RNA)
where:
Base-Base interactions energy: -67.942
where: short stacking energy: -28.483
Base-Backbone interact. energy: -0.268
local terms energy: -35.383978
where:
bonds (distance) C4'-P energy: -7.642
bonds (distance) P-C4' energy: -9.811
flat angles C4'-P-C4' energy: -6.334
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -8.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -104.893564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.893564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.893564 (E_RNA)
where:
Base-Base interactions energy: -67.167
where: short stacking energy: -29.171
Base-Backbone interact. energy: -0.939
local terms energy: -36.787888
where:
bonds (distance) C4'-P energy: -6.035
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -52.416928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.416928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.416928 (E_RNA)
where:
Base-Base interactions energy: -18.853
where: short stacking energy: -18.853
Base-Backbone interact. energy: -0.022
local terms energy: -33.541558
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -4.160
tors. eta vs tors. theta energy: -4.891
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: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -58.517403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.517403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.517403 (E_RNA)
where:
Base-Base interactions energy: -29.080
where: short stacking energy: -15.557
Base-Backbone interact. energy: -0.006
local terms energy: -29.431378
where:
bonds (distance) C4'-P energy: -7.356
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -3.739
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -48.258058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.258058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.258058 (E_RNA)
where:
Base-Base interactions energy: -25.587
where: short stacking energy: -19.479
Base-Backbone interact. energy: -0.612
local terms energy: -22.058412
where:
bonds (distance) C4'-P energy: -5.846
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -6.529
flat angles P-C4'-P energy: -1.409
tors. eta vs tors. theta energy: 1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -55.165779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.165779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.165779 (E_RNA)
where:
Base-Base interactions energy: -32.346
where: short stacking energy: -19.610
Base-Backbone interact. energy: -0.402
local terms energy: -22.418275
where:
bonds (distance) C4'-P energy: -4.425
bonds (distance) P-C4' energy: -4.216
flat angles C4'-P-C4' energy: -5.639
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -49.151865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.151865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.151865 (E_RNA)
where:
Base-Base interactions energy: -21.978
where: short stacking energy: -21.978
Base-Backbone interact. energy: -0.001
local terms energy: -27.172715
where:
bonds (distance) C4'-P energy: -5.182
bonds (distance) P-C4' energy: -6.026
flat angles C4'-P-C4' energy: -7.261
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -107.572076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.572076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.572076 (E_RNA)
where:
Base-Base interactions energy: -71.428
where: short stacking energy: -28.157
Base-Backbone interact. energy: -1.227
local terms energy: -34.917036
where:
bonds (distance) C4'-P energy: -7.028
bonds (distance) P-C4' energy: -7.756
flat angles C4'-P-C4' energy: -6.724
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -105.393931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.393931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.393931 (E_RNA)
where:
Base-Base interactions energy: -70.607
where: short stacking energy: -30.221
Base-Backbone interact. energy: -1.144
local terms energy: -33.643290
where:
bonds (distance) C4'-P energy: -3.502
bonds (distance) P-C4' energy: -8.644
flat angles C4'-P-C4' energy: -8.514
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -105.571181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.571181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.571181 (E_RNA)
where:
Base-Base interactions energy: -69.461
where: short stacking energy: -27.892
Base-Backbone interact. energy: -1.093
local terms energy: -35.017963
where:
bonds (distance) C4'-P energy: -4.666
bonds (distance) P-C4' energy: -7.839
flat angles C4'-P-C4' energy: -7.861
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -102.294770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.294770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.294770 (E_RNA)
where:
Base-Base interactions energy: -66.736
where: short stacking energy: -25.781
Base-Backbone interact. energy: -0.006
local terms energy: -35.552783
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -3.238
tors. eta vs tors. theta energy: -8.914
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: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -101.423940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.423940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.423940 (E_RNA)
where:
Base-Base interactions energy: -66.519
where: short stacking energy: -23.498
Base-Backbone interact. energy: -0.232
local terms energy: -34.672922
where:
bonds (distance) C4'-P energy: -7.695
bonds (distance) P-C4' energy: -7.749
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -54.947873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.947873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.947873 (E_RNA)
where:
Base-Base interactions energy: -20.684
where: short stacking energy: -20.684
Base-Backbone interact. energy: -0.003
local terms energy: -34.261240
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -8.612
flat angles C4'-P-C4' energy: -7.732
flat angles P-C4'-P energy: -3.513
tors. eta vs tors. theta energy: -5.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -53.302283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.302283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.302283 (E_RNA)
where:
Base-Base interactions energy: -23.623
where: short stacking energy: -23.623
Base-Backbone interact. energy: -0.000
local terms energy: -29.679175
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -7.854
flat angles C4'-P-C4' energy: -5.142
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -50.341781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.341781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.341781 (E_RNA)
where:
Base-Base interactions energy: -22.047
where: short stacking energy: -22.047
Base-Backbone interact. energy: -0.180
local terms energy: -28.115233
where:
bonds (distance) C4'-P energy: -5.068
bonds (distance) P-C4' energy: -5.251
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -48.143462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.143462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.143462 (E_RNA)
where:
Base-Base interactions energy: -18.411
where: short stacking energy: -18.411
Base-Backbone interact. energy: -0.074
local terms energy: -29.658234
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -6.843
flat angles C4'-P-C4' energy: -6.838
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -48.738968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.738968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.738968 (E_RNA)
where:
Base-Base interactions energy: -22.745
where: short stacking energy: -10.972
Base-Backbone interact. energy: -0.566
local terms energy: -25.427619
where:
bonds (distance) C4'-P energy: -6.318
bonds (distance) P-C4' energy: -5.778
flat angles C4'-P-C4' energy: -6.864
flat angles P-C4'-P energy: -2.637
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -109.383779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.383779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.383779 (E_RNA)
where:
Base-Base interactions energy: -72.242
where: short stacking energy: -30.485
Base-Backbone interact. energy: -0.040
local terms energy: -37.101963
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -7.950
flat angles C4'-P-C4' energy: -7.418
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -7.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -103.971037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.971037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.971037 (E_RNA)
where:
Base-Base interactions energy: -68.025
where: short stacking energy: -26.908
Base-Backbone interact. energy: -0.291
local terms energy: -35.655412
where:
bonds (distance) C4'-P energy: -6.173
bonds (distance) P-C4' energy: -6.805
flat angles C4'-P-C4' energy: -7.775
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -104.616515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.616515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.616515 (E_RNA)
where:
Base-Base interactions energy: -67.792
where: short stacking energy: -29.103
Base-Backbone interact. energy: -0.075
local terms energy: -36.749516
where:
bonds (distance) C4'-P energy: -7.613
bonds (distance) P-C4' energy: -6.051
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -8.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -106.418355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.418355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.418355 (E_RNA)
where:
Base-Base interactions energy: -71.983
where: short stacking energy: -28.116
Base-Backbone interact. energy: -0.058
local terms energy: -34.378179
where:
bonds (distance) C4'-P energy: -4.408
bonds (distance) P-C4' energy: -8.451
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -101.848546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.848546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.848546 (E_RNA)
where:
Base-Base interactions energy: -66.379
where: short stacking energy: -25.936
Base-Backbone interact. energy: -0.079
local terms energy: -35.390756
where:
bonds (distance) C4'-P energy: -6.558
bonds (distance) P-C4' energy: -7.234
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: -8.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -69.888558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.888558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.888558 (E_RNA)
where:
Base-Base interactions energy: -40.579
where: short stacking energy: -28.702
Base-Backbone interact. energy: -0.000
local terms energy: -29.309180
where:
bonds (distance) C4'-P energy: -3.618
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -8.117
flat angles P-C4'-P energy: -1.160
tors. eta vs tors. theta energy: -8.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -51.684073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.684073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.684073 (E_RNA)
where:
Base-Base interactions energy: -25.163
where: short stacking energy: -25.163
Base-Backbone interact. energy: -0.000
local terms energy: -26.520884
where:
bonds (distance) C4'-P energy: -7.223
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -4.488
flat angles P-C4'-P energy: -1.133
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -53.817060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.817060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.817060 (E_RNA)
where:
Base-Base interactions energy: -23.651
where: short stacking energy: -23.651
Base-Backbone interact. energy: -0.088
local terms energy: -30.077431
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -8.143
flat angles C4'-P-C4' energy: -4.908
flat angles P-C4'-P energy: -2.282
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -45.462047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.462047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.462047 (E_RNA)
where:
Base-Base interactions energy: -18.473
where: short stacking energy: -18.473
Base-Backbone interact. energy: -0.013
local terms energy: -26.976294
where:
bonds (distance) C4'-P energy: -7.986
bonds (distance) P-C4' energy: -8.143
flat angles C4'-P-C4' energy: -5.544
flat angles P-C4'-P energy: -3.677
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: 10, replica: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -54.121789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.121789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.121789 (E_RNA)
where:
Base-Base interactions energy: -32.359
where: short stacking energy: -16.190
Base-Backbone interact. energy: -0.068
local terms energy: -21.695093
where:
bonds (distance) C4'-P energy: -5.803
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -2.889
flat angles P-C4'-P energy: -0.975
tors. eta vs tors. theta energy: -5.829
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: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -109.642863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.642863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.642863 (E_RNA)
where:
Base-Base interactions energy: -72.257
where: short stacking energy: -28.298
Base-Backbone interact. energy: -1.470
local terms energy: -35.916223
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -7.176
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -100.944606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.944606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.944606 (E_RNA)
where:
Base-Base interactions energy: -66.188
where: short stacking energy: -26.960
Base-Backbone interact. energy: -0.930
local terms energy: -33.827476
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -9.039
flat angles C4'-P-C4' energy: -7.769
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -100.200004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.200004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.200004 (E_RNA)
where:
Base-Base interactions energy: -65.147
where: short stacking energy: -26.032
Base-Backbone interact. energy: -0.337
local terms energy: -34.715402
where:
bonds (distance) C4'-P energy: -7.576
bonds (distance) P-C4' energy: -7.978
flat angles C4'-P-C4' energy: -6.805
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -102.376014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.376014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.376014 (E_RNA)
where:
Base-Base interactions energy: -65.645
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.238
local terms energy: -36.492707
where:
bonds (distance) C4'-P energy: -6.377
bonds (distance) P-C4' energy: -8.204
flat angles C4'-P-C4' energy: -8.249
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -100.200244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.200244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.200244 (E_RNA)
where:
Base-Base interactions energy: -65.973
where: short stacking energy: -26.793
Base-Backbone interact. energy: -0.039
local terms energy: -34.187919
where:
bonds (distance) C4'-P energy: -6.868
bonds (distance) P-C4' energy: -5.436
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -8.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -63.807725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.807725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.807725 (E_RNA)
where:
Base-Base interactions energy: -31.747
where: short stacking energy: -22.409
Base-Backbone interact. energy: -0.005
local terms energy: -32.055635
where:
bonds (distance) C4'-P energy: -7.650
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -7.081
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -7.249
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: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -49.105939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.105939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.105939 (E_RNA)
where:
Base-Base interactions energy: -16.354
where: short stacking energy: -16.354
Base-Backbone interact. energy: -0.001
local terms energy: -32.751191
where:
bonds (distance) C4'-P energy: -7.249
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -7.093
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -43.263208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.263208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.263208 (E_RNA)
where:
Base-Base interactions energy: -12.459
where: short stacking energy: -12.459
Base-Backbone interact. energy: -0.007
local terms energy: -30.797635
where:
bonds (distance) C4'-P energy: -6.106
bonds (distance) P-C4' energy: -8.345
flat angles C4'-P-C4' energy: -7.366
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -45.972753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.972753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.972753 (E_RNA)
where:
Base-Base interactions energy: -17.822
where: short stacking energy: -16.618
Base-Backbone interact. energy: -0.125
local terms energy: -28.025733
where:
bonds (distance) C4'-P energy: -6.123
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -7.446
flat angles P-C4'-P energy: -2.467
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: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -42.061930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.061930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.061930 (E_RNA)
where:
Base-Base interactions energy: -16.979
where: short stacking energy: -13.070
Base-Backbone interact. energy: -0.063
local terms energy: -25.020151
where:
bonds (distance) C4'-P energy: -7.464
bonds (distance) P-C4' energy: -9.025
flat angles C4'-P-C4' energy: -2.080
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -107.629415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.629415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.629415 (E_RNA)
where:
Base-Base interactions energy: -73.878
where: short stacking energy: -30.807
Base-Backbone interact. energy: -0.000
local terms energy: -33.751141
where:
bonds (distance) C4'-P energy: -6.645
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -6.750
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -106.660121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.660121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.660121 (E_RNA)
where:
Base-Base interactions energy: -68.840
where: short stacking energy: -29.996
Base-Backbone interact. energy: -0.000
local terms energy: -37.819646
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -7.498
flat angles C4'-P-C4' energy: -7.746
flat angles P-C4'-P energy: -6.696
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: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -102.636054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.636054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.636054 (E_RNA)
where:
Base-Base interactions energy: -68.844
where: short stacking energy: -25.962
Base-Backbone interact. energy: -0.916
local terms energy: -32.876811
where:
bonds (distance) C4'-P energy: -6.488
bonds (distance) P-C4' energy: -6.582
flat angles C4'-P-C4' energy: -6.688
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -96.218321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.218321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.218321 (E_RNA)
where:
Base-Base interactions energy: -66.323
where: short stacking energy: -23.710
Base-Backbone interact. energy: -0.083
local terms energy: -29.813249
where:
bonds (distance) C4'-P energy: -5.509
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -6.982
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -101.006376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.006376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.006376 (E_RNA)
where:
Base-Base interactions energy: -64.906
where: short stacking energy: -26.313
Base-Backbone interact. energy: -0.381
local terms energy: -35.719671
where:
bonds (distance) C4'-P energy: -6.867
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -5.008
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -53.764137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.764137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.764137 (E_RNA)
where:
Base-Base interactions energy: -21.053
where: short stacking energy: -21.053
Base-Backbone interact. energy: -0.046
local terms energy: -32.664612
where:
bonds (distance) C4'-P energy: -6.271
bonds (distance) P-C4' energy: -8.140
flat angles C4'-P-C4' energy: -8.196
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -53.391238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.391238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.391238 (E_RNA)
where:
Base-Base interactions energy: -26.220
where: short stacking energy: -26.220
Base-Backbone interact. energy: -0.090
local terms energy: -27.081793
where:
bonds (distance) C4'-P energy: -5.340
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -7.251
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -45.877416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.877416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.877416 (E_RNA)
where:
Base-Base interactions energy: -16.734
where: short stacking energy: -16.734
Base-Backbone interact. energy: -0.000
local terms energy: -29.142621
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -5.840
flat angles C4'-P-C4' energy: -5.695
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -2.571
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: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -48.464688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.464688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.464688 (E_RNA)
where:
Base-Base interactions energy: -24.438
where: short stacking energy: -9.925
Base-Backbone interact. energy: 0.418
local terms energy: -24.444919
where:
bonds (distance) C4'-P energy: -5.655
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.719
flat angles P-C4'-P energy: -3.662
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -48.225471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.225471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.225471 (E_RNA)
where:
Base-Base interactions energy: -25.318
where: short stacking energy: -25.318
Base-Backbone interact. energy: 0.330
local terms energy: -23.236777
where:
bonds (distance) C4'-P energy: -1.055
bonds (distance) P-C4' energy: -7.591
flat angles C4'-P-C4' energy: -6.321
flat angles P-C4'-P energy: -2.123
tors. eta vs tors. theta energy: -6.147
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: 52
Temperature: 0.900000
Total energy: -103.510196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.510196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.510196 (E_RNA)
where:
Base-Base interactions energy: -66.965
where: short stacking energy: -30.606
Base-Backbone interact. energy: -0.270
local terms energy: -36.274457
where:
bonds (distance) C4'-P energy: -6.959
bonds (distance) P-C4' energy: -8.863
flat angles C4'-P-C4' energy: -8.006
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -108.952466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.952466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.952466 (E_RNA)
where:
Base-Base interactions energy: -69.260
where: short stacking energy: -27.971
Base-Backbone interact. energy: -1.394
local terms energy: -38.298213
where:
bonds (distance) C4'-P energy: -7.792
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -6.395
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: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -104.506867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.506867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.506867 (E_RNA)
where:
Base-Base interactions energy: -67.587
where: short stacking energy: -28.162
Base-Backbone interact. energy: -1.029
local terms energy: -35.890080
where:
bonds (distance) C4'-P energy: -6.938
bonds (distance) P-C4' energy: -8.121
flat angles C4'-P-C4' energy: -7.854
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -104.528986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.528986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.528986 (E_RNA)
where:
Base-Base interactions energy: -69.123
where: short stacking energy: -29.839
Base-Backbone interact. energy: -1.097
local terms energy: -34.308848
where:
bonds (distance) C4'-P energy: -6.602
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -8.097
flat angles P-C4'-P energy: -3.668
tors. eta vs tors. theta energy: -8.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -52.420139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.420139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.420139 (E_RNA)
where:
Base-Base interactions energy: -20.010
where: short stacking energy: -20.010
Base-Backbone interact. energy: -0.000
local terms energy: -32.409835
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -6.800
flat angles P-C4'-P energy: -3.591
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: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -96.303893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.303893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.303893 (E_RNA)
where:
Base-Base interactions energy: -63.938
where: short stacking energy: -23.364
Base-Backbone interact. energy: -0.830
local terms energy: -31.536263
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -9.292
flat angles C4'-P-C4' energy: -8.457
flat angles P-C4'-P energy: -2.898
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -51.575105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.575105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.575105 (E_RNA)
where:
Base-Base interactions energy: -20.229
where: short stacking energy: -20.229
Base-Backbone interact. energy: -0.247
local terms energy: -31.099028
where:
bonds (distance) C4'-P energy: -6.263
bonds (distance) P-C4' energy: -7.598
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -3.216
tors. eta vs tors. theta energy: -5.236
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: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -44.859614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.859614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.859614 (E_RNA)
where:
Base-Base interactions energy: -20.476
where: short stacking energy: -20.476
Base-Backbone interact. energy: -0.018
local terms energy: -24.366396
where:
bonds (distance) C4'-P energy: -7.153
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -4.479
flat angles P-C4'-P energy: -0.576
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -50.342964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.342964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.342964 (E_RNA)
where:
Base-Base interactions energy: -27.027
where: short stacking energy: -18.307
Base-Backbone interact. energy: -0.078
local terms energy: -23.237454
where:
bonds (distance) C4'-P energy: -2.546
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -7.182
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -44.184391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.184391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.184391 (E_RNA)
where:
Base-Base interactions energy: -22.778
where: short stacking energy: -13.909
Base-Backbone interact. energy: 0.281
local terms energy: -21.688019
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -8.044
flat angles C4'-P-C4' energy: -6.500
flat angles P-C4'-P energy: 0.262
tors. eta vs tors. theta energy: 0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -109.177584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.177584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.177584 (E_RNA)
where:
Base-Base interactions energy: -69.820
where: short stacking energy: -30.209
Base-Backbone interact. energy: -0.826
local terms energy: -38.531570
where:
bonds (distance) C4'-P energy: -7.915
bonds (distance) P-C4' energy: -9.124
flat angles C4'-P-C4' energy: -7.251
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -105.877382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.877382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.877382 (E_RNA)
where:
Base-Base interactions energy: -66.379
where: short stacking energy: -26.970
Base-Backbone interact. energy: -2.079
local terms energy: -37.420287
where:
bonds (distance) C4'-P energy: -7.514
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -6.284
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: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -102.342501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.342501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.342501 (E_RNA)
where:
Base-Base interactions energy: -65.642
where: short stacking energy: -26.821
Base-Backbone interact. energy: -0.762
local terms energy: -35.938814
where:
bonds (distance) C4'-P energy: -7.700
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -6.770
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -8.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -98.810380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.810380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.810380 (E_RNA)
where:
Base-Base interactions energy: -66.902
where: short stacking energy: -25.555
Base-Backbone interact. energy: -0.613
local terms energy: -31.295728
where:
bonds (distance) C4'-P energy: -5.635
bonds (distance) P-C4' energy: -5.670
flat angles C4'-P-C4' energy: -6.489
flat angles P-C4'-P energy: -5.028
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -72.390561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.390561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.390561 (E_RNA)
where:
Base-Base interactions energy: -38.994
where: short stacking energy: -15.890
Base-Backbone interact. energy: -0.105
local terms energy: -33.291604
where:
bonds (distance) C4'-P energy: -8.209
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -7.574
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -88.157700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.157700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.157700 (E_RNA)
where:
Base-Base interactions energy: -54.432
where: short stacking energy: -22.972
Base-Backbone interact. energy: -0.050
local terms energy: -33.675709
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -7.356
flat angles P-C4'-P energy: -3.321
tors. eta vs tors. theta energy: -5.860
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: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -58.997853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.997853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.997853 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -16.151
Base-Backbone interact. energy: -0.192
local terms energy: -28.200118
where:
bonds (distance) C4'-P energy: -6.321
bonds (distance) P-C4' energy: -8.447
flat angles C4'-P-C4' energy: -7.093
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -44.992856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.992856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.992856 (E_RNA)
where:
Base-Base interactions energy: -17.219
where: short stacking energy: -17.219
Base-Backbone interact. energy: -0.006
local terms energy: -27.768133
where:
bonds (distance) C4'-P energy: -4.851
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -7.193
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -40.760067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.760067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.760067 (E_RNA)
where:
Base-Base interactions energy: -17.245
where: short stacking energy: -17.245
Base-Backbone interact. energy: -0.004
local terms energy: -23.510409
where:
bonds (distance) C4'-P energy: -6.827
bonds (distance) P-C4' energy: -6.347
flat angles C4'-P-C4' energy: -6.938
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: 0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -41.889890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.889890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.889890 (E_RNA)
where:
Base-Base interactions energy: -20.161
where: short stacking energy: -20.161
Base-Backbone interact. energy: -0.039
local terms energy: -21.690590
where:
bonds (distance) C4'-P energy: -5.162
bonds (distance) P-C4' energy: -3.628
flat angles C4'-P-C4' energy: -4.858
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -105.360878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.360878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.360878 (E_RNA)
where:
Base-Base interactions energy: -67.387
where: short stacking energy: -29.103
Base-Backbone interact. energy: -0.870
local terms energy: -37.104292
where:
bonds (distance) C4'-P energy: -6.806
bonds (distance) P-C4' energy: -9.342
flat angles C4'-P-C4' energy: -8.664
flat angles P-C4'-P energy: -6.395
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: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -108.249285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.249285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.249285 (E_RNA)
where:
Base-Base interactions energy: -70.280
where: short stacking energy: -29.754
Base-Backbone interact. energy: -0.541
local terms energy: -37.428353
where:
bonds (distance) C4'-P energy: -6.752
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -5.412
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -9.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -104.717104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.717104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.717104 (E_RNA)
where:
Base-Base interactions energy: -70.717
where: short stacking energy: -31.491
Base-Backbone interact. energy: -1.129
local terms energy: -32.871001
where:
bonds (distance) C4'-P energy: -6.719
bonds (distance) P-C4' energy: -8.866
flat angles C4'-P-C4' energy: -5.856
flat angles P-C4'-P energy: -3.623
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -100.818892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.818892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.818892 (E_RNA)
where:
Base-Base interactions energy: -65.401
where: short stacking energy: -26.763
Base-Backbone interact. energy: -0.246
local terms energy: -35.172169
where:
bonds (distance) C4'-P energy: -7.820
bonds (distance) P-C4' energy: -7.276
flat angles C4'-P-C4' energy: -7.186
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -6.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -103.529600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.529600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.529600 (E_RNA)
where:
Base-Base interactions energy: -66.652
where: short stacking energy: -25.467
Base-Backbone interact. energy: -1.620
local terms energy: -35.257503
where:
bonds (distance) C4'-P energy: -7.870
bonds (distance) P-C4' energy: -7.699
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -4.397
tors. eta vs tors. theta energy: -7.359
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -66.450051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.450051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.450051 (E_RNA)
where:
Base-Base interactions energy: -46.572
where: short stacking energy: -19.208
Base-Backbone interact. energy: 0.415
local terms energy: -20.292551
where:
bonds (distance) C4'-P energy: -7.836
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -1.845
flat angles P-C4'-P energy: -2.430
tors. eta vs tors. theta energy: 0.247
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: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -55.234754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.234754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.234754 (E_RNA)
where:
Base-Base interactions energy: -20.628
where: short stacking energy: -18.973
Base-Backbone interact. energy: -1.064
local terms energy: -33.542580
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -7.414
flat angles P-C4'-P energy: -3.433
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -54.383880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.383880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.383880 (E_RNA)
where:
Base-Base interactions energy: -21.591
where: short stacking energy: -20.029
Base-Backbone interact. energy: -0.321
local terms energy: -32.471787
where:
bonds (distance) C4'-P energy: -7.944
bonds (distance) P-C4' energy: -6.864
flat angles C4'-P-C4' energy: -4.888
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -48.214086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.214086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.214086 (E_RNA)
where:
Base-Base interactions energy: -15.369
where: short stacking energy: -15.348
Base-Backbone interact. energy: -0.039
local terms energy: -32.806444
where:
bonds (distance) C4'-P energy: -6.566
bonds (distance) P-C4' energy: -8.655
flat angles C4'-P-C4' energy: -6.939
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -46.016889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.016889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.016889 (E_RNA)
where:
Base-Base interactions energy: -18.398
where: short stacking energy: -8.648
Base-Backbone interact. energy: -0.109
local terms energy: -27.510491
where:
bonds (distance) C4'-P energy: -7.692
bonds (distance) P-C4' energy: -7.770
flat angles C4'-P-C4' energy: -8.246
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: 1.864
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: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -106.569420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.569420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.569420 (E_RNA)
where:
Base-Base interactions energy: -71.440
where: short stacking energy: -28.700
Base-Backbone interact. energy: -0.460
local terms energy: -34.669533
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -7.058
flat angles C4'-P-C4' energy: -8.939
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -106.638823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.638823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.638823 (E_RNA)
where:
Base-Base interactions energy: -70.747
where: short stacking energy: -30.345
Base-Backbone interact. energy: -0.001
local terms energy: -35.890164
where:
bonds (distance) C4'-P energy: -7.330
bonds (distance) P-C4' energy: -8.183
flat angles C4'-P-C4' energy: -6.495
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -7.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -101.121124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.121124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.121124 (E_RNA)
where:
Base-Base interactions energy: -64.171
where: short stacking energy: -25.946
Base-Backbone interact. energy: -1.741
local terms energy: -35.209095
where:
bonds (distance) C4'-P energy: -6.248
bonds (distance) P-C4' energy: -8.833
flat angles C4'-P-C4' energy: -6.318
flat angles P-C4'-P energy: -6.243
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: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -102.082692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.082692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.082692 (E_RNA)
where:
Base-Base interactions energy: -67.918
where: short stacking energy: -30.224
Base-Backbone interact. energy: 0.286
local terms energy: -34.451218
where:
bonds (distance) C4'-P energy: -7.480
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -7.456
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -101.701303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.701303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.701303 (E_RNA)
where:
Base-Base interactions energy: -67.811
where: short stacking energy: -32.941
Base-Backbone interact. energy: -0.017
local terms energy: -33.873720
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -6.373
flat angles C4'-P-C4' energy: -7.023
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -5.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -55.242429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.242429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.242429 (E_RNA)
where:
Base-Base interactions energy: -27.856
where: short stacking energy: -16.194
Base-Backbone interact. energy: -0.008
local terms energy: -27.379086
where:
bonds (distance) C4'-P energy: -6.548
bonds (distance) P-C4' energy: -7.591
flat angles C4'-P-C4' energy: -5.724
flat angles P-C4'-P energy: -6.774
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: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -47.773496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.773496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.773496 (E_RNA)
where:
Base-Base interactions energy: -13.748
where: short stacking energy: -13.748
Base-Backbone interact. energy: -0.001
local terms energy: -34.024926
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -8.655
flat angles C4'-P-C4' energy: -8.240
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -55.328371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.328371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.328371 (E_RNA)
where:
Base-Base interactions energy: -26.920
where: short stacking energy: -21.687
Base-Backbone interact. energy: -0.054
local terms energy: -28.354465
where:
bonds (distance) C4'-P energy: -3.841
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -6.959
flat angles P-C4'-P energy: -1.924
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -56.832162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.832162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.832162 (E_RNA)
where:
Base-Base interactions energy: -23.103
where: short stacking energy: -20.669
Base-Backbone interact. energy: -0.009
local terms energy: -33.720330
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -7.762
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -45.815974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.815974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.815974 (E_RNA)
where:
Base-Base interactions energy: -14.453
where: short stacking energy: -16.153
Base-Backbone interact. energy: -0.690
local terms energy: -30.673321
where:
bonds (distance) C4'-P energy: -6.470
bonds (distance) P-C4' energy: -6.691
flat angles C4'-P-C4' energy: -8.902
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -2.119
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: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -106.962310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.962310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.962310 (E_RNA)
where:
Base-Base interactions energy: -68.430
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.417
local terms energy: -38.114910
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -7.379
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -7.772
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: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -101.248970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.248970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.248970 (E_RNA)
where:
Base-Base interactions energy: -68.360
where: short stacking energy: -30.037
Base-Backbone interact. energy: -0.149
local terms energy: -32.739340
where:
bonds (distance) C4'-P energy: -4.094
bonds (distance) P-C4' energy: -7.702
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -6.108
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: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -101.949456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.949456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.949456 (E_RNA)
where:
Base-Base interactions energy: -66.401
where: short stacking energy: -20.262
Base-Backbone interact. energy: -0.099
local terms energy: -35.449646
where:
bonds (distance) C4'-P energy: -8.094
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -104.273442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.273442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.273442 (E_RNA)
where:
Base-Base interactions energy: -68.108
where: short stacking energy: -30.163
Base-Backbone interact. energy: -2.063
local terms energy: -34.102591
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -6.821
flat angles C4'-P-C4' energy: -6.825
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -8.547
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: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -52.376314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.376314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.376314 (E_RNA)
where:
Base-Base interactions energy: -21.696
where: short stacking energy: -17.224
Base-Backbone interact. energy: -0.026
local terms energy: -30.653972
where:
bonds (distance) C4'-P energy: -6.094
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -8.288
flat angles P-C4'-P energy: -4.420
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -100.571965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.571965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.571965 (E_RNA)
where:
Base-Base interactions energy: -64.679
where: short stacking energy: -25.359
Base-Backbone interact. energy: -1.882
local terms energy: -34.011119
where:
bonds (distance) C4'-P energy: -8.635
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -6.599
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -61.090680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.090680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.090680 (E_RNA)
where:
Base-Base interactions energy: -29.476
where: short stacking energy: -22.087
Base-Backbone interact. energy: -0.065
local terms energy: -31.549789
where:
bonds (distance) C4'-P energy: -7.952
bonds (distance) P-C4' energy: -5.505
flat angles C4'-P-C4' energy: -6.896
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -48.052767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.052767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.052767 (E_RNA)
where:
Base-Base interactions energy: -17.603
where: short stacking energy: -17.603
Base-Backbone interact. energy: -0.082
local terms energy: -30.367950
where:
bonds (distance) C4'-P energy: -6.673
bonds (distance) P-C4' energy: -9.081
flat angles C4'-P-C4' energy: -5.916
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -49.773952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.773952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.773952 (E_RNA)
where:
Base-Base interactions energy: -27.998
where: short stacking energy: -9.241
Base-Backbone interact. energy: -0.412
local terms energy: -21.363724
where:
bonds (distance) C4'-P energy: -5.763
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -4.602
flat angles P-C4'-P energy: -4.260
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: 10, replica: 3
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -41.118892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.118892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.118892 (E_RNA)
where:
Base-Base interactions energy: -15.036
where: short stacking energy: -14.978
Base-Backbone interact. energy: -0.343
local terms energy: -25.739208
where:
bonds (distance) C4'-P energy: -6.710
bonds (distance) P-C4' energy: -6.808
flat angles C4'-P-C4' energy: -5.599
flat angles P-C4'-P energy: -3.743
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -109.380480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.380480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.380480 (E_RNA)
where:
Base-Base interactions energy: -70.153
where: short stacking energy: -32.960
Base-Backbone interact. energy: -0.004
local terms energy: -39.223917
where:
bonds (distance) C4'-P energy: -7.418
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -8.000
flat angles P-C4'-P energy: -4.742
tors. eta vs tors. theta energy: -9.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -110.775340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.775340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.775340 (E_RNA)
where:
Base-Base interactions energy: -73.743
where: short stacking energy: -29.525
Base-Backbone interact. energy: -0.478
local terms energy: -36.553805
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -6.904
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -8.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -101.816849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.816849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.816849 (E_RNA)
where:
Base-Base interactions energy: -65.484
where: short stacking energy: -25.312
Base-Backbone interact. energy: -0.002
local terms energy: -36.330781
where:
bonds (distance) C4'-P energy: -6.777
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -6.116
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -56.404992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.404992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.404992 (E_RNA)
where:
Base-Base interactions energy: -20.750
where: short stacking energy: -20.750
Base-Backbone interact. energy: -0.015
local terms energy: -35.640563
where:
bonds (distance) C4'-P energy: -8.209
bonds (distance) P-C4' energy: -9.098
flat angles C4'-P-C4' energy: -7.430
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -107.085029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.085029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.085029 (E_RNA)
where:
Base-Base interactions energy: -72.962
where: short stacking energy: -30.484
Base-Backbone interact. energy: -1.088
local terms energy: -33.035245
where:
bonds (distance) C4'-P energy: -6.905
bonds (distance) P-C4' energy: -5.579
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -100.096044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.096044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.096044 (E_RNA)
where:
Base-Base interactions energy: -65.626
where: short stacking energy: -25.898
Base-Backbone interact. energy: -0.656
local terms energy: -33.813782
where:
bonds (distance) C4'-P energy: -8.412
bonds (distance) P-C4' energy: -8.401
flat angles C4'-P-C4' energy: -4.188
flat angles P-C4'-P energy: -5.672
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: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -57.672397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.672397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.672397 (E_RNA)
where:
Base-Base interactions energy: -21.595
where: short stacking energy: -21.595
Base-Backbone interact. energy: -0.000
local terms energy: -36.077554
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -8.006
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -49.629396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.629396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.629396 (E_RNA)
where:
Base-Base interactions energy: -17.346
where: short stacking energy: -16.214
Base-Backbone interact. energy: -0.000
local terms energy: -32.282843
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -6.575
flat angles C4'-P-C4' energy: -5.275
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -46.974980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.974980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.974980 (E_RNA)
where:
Base-Base interactions energy: -26.589
where: short stacking energy: -18.587
Base-Backbone interact. energy: -0.099
local terms energy: -20.287147
where:
bonds (distance) C4'-P energy: -6.255
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -5.228
flat angles P-C4'-P energy: -2.135
tors. eta vs tors. theta energy: -0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -39.732122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.732122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.732122 (E_RNA)
where:
Base-Base interactions energy: -13.281
where: short stacking energy: -7.252
Base-Backbone interact. energy: -0.818
local terms energy: -25.632464
where:
bonds (distance) C4'-P energy: -6.611
bonds (distance) P-C4' energy: -7.150
flat angles C4'-P-C4' energy: -5.195
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -103.949555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.949555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.949555 (E_RNA)
where:
Base-Base interactions energy: -71.357
where: short stacking energy: -29.183
Base-Backbone interact. energy: -1.073
local terms energy: -31.519939
where:
bonds (distance) C4'-P energy: -7.650
bonds (distance) P-C4' energy: -8.351
flat angles C4'-P-C4' energy: -6.735
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -104.090220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.090220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.090220 (E_RNA)
where:
Base-Base interactions energy: -68.818
where: short stacking energy: -24.422
Base-Backbone interact. energy: -0.041
local terms energy: -35.231435
where:
bonds (distance) C4'-P energy: -7.149
bonds (distance) P-C4' energy: -7.392
flat angles C4'-P-C4' energy: -7.019
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -8.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -101.824791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.824791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.824791 (E_RNA)
where:
Base-Base interactions energy: -69.648
where: short stacking energy: -25.926
Base-Backbone interact. energy: -0.547
local terms energy: -31.630001
where:
bonds (distance) C4'-P energy: -7.613
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -5.891
flat angles P-C4'-P energy: -2.690
tors. eta vs tors. theta energy: -7.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -54.397264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.397264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.397264 (E_RNA)
where:
Base-Base interactions energy: -23.921
where: short stacking energy: -22.686
Base-Backbone interact. energy: -0.018
local terms energy: -30.457934
where:
bonds (distance) C4'-P energy: -6.273
bonds (distance) P-C4' energy: -8.249
flat angles C4'-P-C4' energy: -7.165
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -102.710733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.710733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.710733 (E_RNA)
where:
Base-Base interactions energy: -65.916
where: short stacking energy: -27.985
Base-Backbone interact. energy: -0.003
local terms energy: -36.791531
where:
bonds (distance) C4'-P energy: -7.029
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -7.324
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -103.073691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.073691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.073691 (E_RNA)
where:
Base-Base interactions energy: -69.351
where: short stacking energy: -24.399
Base-Backbone interact. energy: -0.291
local terms energy: -33.431615
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -8.600
flat angles C4'-P-C4' energy: -3.346
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -9.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -50.597661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.597661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.597661 (E_RNA)
where:
Base-Base interactions energy: -19.089
where: short stacking energy: -19.089
Base-Backbone interact. energy: -0.072
local terms energy: -31.437391
where:
bonds (distance) C4'-P energy: -6.718
bonds (distance) P-C4' energy: -7.956
flat angles C4'-P-C4' energy: -7.321
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -4.183
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: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -49.457687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.457687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.457687 (E_RNA)
where:
Base-Base interactions energy: -22.753
where: short stacking energy: -16.257
Base-Backbone interact. energy: -0.049
local terms energy: -26.655593
where:
bonds (distance) C4'-P energy: -7.079
bonds (distance) P-C4' energy: -7.780
flat angles C4'-P-C4' energy: -4.926
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -49.741561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.741561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.741561 (E_RNA)
where:
Base-Base interactions energy: -22.141
where: short stacking energy: -22.141
Base-Backbone interact. energy: -0.001
local terms energy: -27.599549
where:
bonds (distance) C4'-P energy: -6.852
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -3.579
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -54.753820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.753820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.753820 (E_RNA)
where:
Base-Base interactions energy: -27.573
where: short stacking energy: -14.194
Base-Backbone interact. energy: -0.003
local terms energy: -27.178358
where:
bonds (distance) C4'-P energy: -3.142
bonds (distance) P-C4' energy: -8.013
flat angles C4'-P-C4' energy: -6.140
flat angles P-C4'-P energy: -5.517
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: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -107.963114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.963114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.963114 (E_RNA)
where:
Base-Base interactions energy: -71.650
where: short stacking energy: -30.739
Base-Backbone interact. energy: -1.828
local terms energy: -34.484667
where:
bonds (distance) C4'-P energy: -5.825
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -7.796
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -104.973062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.973062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.973062 (E_RNA)
where:
Base-Base interactions energy: -68.359
where: short stacking energy: -30.474
Base-Backbone interact. energy: -0.655
local terms energy: -35.958900
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -7.416
flat angles C4'-P-C4' energy: -7.213
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -7.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -97.159587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.159587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.159587 (E_RNA)
where:
Base-Base interactions energy: -59.968
where: short stacking energy: -24.444
Base-Backbone interact. energy: -0.134
local terms energy: -37.057781
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -107.059636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.059636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.059636 (E_RNA)
where:
Base-Base interactions energy: -71.850
where: short stacking energy: -29.494
Base-Backbone interact. energy: -0.488
local terms energy: -34.721468
where:
bonds (distance) C4'-P energy: -6.834
bonds (distance) P-C4' energy: -6.773
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -59.367850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.367850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.367850 (E_RNA)
where:
Base-Base interactions energy: -25.528
where: short stacking energy: -25.528
Base-Backbone interact. energy: -0.018
local terms energy: -33.822731
where:
bonds (distance) C4'-P energy: -7.952
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -5.094
flat angles P-C4'-P energy: -3.925
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: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -105.039187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.039187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.039187 (E_RNA)
where:
Base-Base interactions energy: -66.385
where: short stacking energy: -31.017
Base-Backbone interact. energy: -0.919
local terms energy: -37.734725
where:
bonds (distance) C4'-P energy: -8.068
bonds (distance) P-C4' energy: -8.407
flat angles C4'-P-C4' energy: -8.436
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -52.262057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.262057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.262057 (E_RNA)
where:
Base-Base interactions energy: -23.540
where: short stacking energy: -18.665
Base-Backbone interact. energy: -0.289
local terms energy: -28.432652
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -5.286
flat angles C4'-P-C4' energy: -5.265
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -44.730746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.730746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.730746 (E_RNA)
where:
Base-Base interactions energy: -16.678
where: short stacking energy: -16.678
Base-Backbone interact. energy: -0.078
local terms energy: -27.975238
where:
bonds (distance) C4'-P energy: -7.792
bonds (distance) P-C4' energy: -5.505
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -3.590
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -48.035430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.035430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.035430 (E_RNA)
where:
Base-Base interactions energy: -14.699
where: short stacking energy: -14.699
Base-Backbone interact. energy: -0.105
local terms energy: -33.231170
where:
bonds (distance) C4'-P energy: -6.885
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -9.098
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -43.823322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.823322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.823322 (E_RNA)
where:
Base-Base interactions energy: -12.837
where: short stacking energy: -12.837
Base-Backbone interact. energy: -0.066
local terms energy: -30.921137
where:
bonds (distance) C4'-P energy: -5.107
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -7.383
flat angles P-C4'-P energy: -3.298
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -108.324089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.324089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.324089 (E_RNA)
where:
Base-Base interactions energy: -69.779
where: short stacking energy: -31.035
Base-Backbone interact. energy: -1.750
local terms energy: -36.794806
where:
bonds (distance) C4'-P energy: -6.751
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -6.436
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -104.879871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.879871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.879871 (E_RNA)
where:
Base-Base interactions energy: -69.653
where: short stacking energy: -31.002
Base-Backbone interact. energy: -0.864
local terms energy: -34.362852
where:
bonds (distance) C4'-P energy: -6.317
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -7.500
flat angles P-C4'-P energy: -4.254
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: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -107.063171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.063171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.063171 (E_RNA)
where:
Base-Base interactions energy: -70.625
where: short stacking energy: -26.974
Base-Backbone interact. energy: -0.314
local terms energy: -36.124913
where:
bonds (distance) C4'-P energy: -7.989
bonds (distance) P-C4' energy: -5.244
flat angles C4'-P-C4' energy: -6.397
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -98.739428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.739428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.739428 (E_RNA)
where:
Base-Base interactions energy: -63.707
where: short stacking energy: -24.829
Base-Backbone interact. energy: -0.487
local terms energy: -34.545937
where:
bonds (distance) C4'-P energy: -6.300
bonds (distance) P-C4' energy: -8.171
flat angles C4'-P-C4' energy: -7.337
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -99.810171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.810171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.810171 (E_RNA)
where:
Base-Base interactions energy: -68.050
where: short stacking energy: -27.555
Base-Backbone interact. energy: -0.544
local terms energy: -31.216196
where:
bonds (distance) C4'-P energy: -5.953
bonds (distance) P-C4' energy: -7.634
flat angles C4'-P-C4' energy: -6.816
flat angles P-C4'-P energy: -4.205
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -50.209456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.209456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.209456 (E_RNA)
where:
Base-Base interactions energy: -20.803
where: short stacking energy: -20.803
Base-Backbone interact. energy: -0.005
local terms energy: -29.401213
where:
bonds (distance) C4'-P energy: -5.916
bonds (distance) P-C4' energy: -7.692
flat angles C4'-P-C4' energy: -5.909
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -48.951272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.951272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.951272 (E_RNA)
where:
Base-Base interactions energy: -19.877
where: short stacking energy: -19.877
Base-Backbone interact. energy: -0.012
local terms energy: -29.062131
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -7.496
flat angles C4'-P-C4' energy: -6.300
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -47.274112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.274112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.274112 (E_RNA)
where:
Base-Base interactions energy: -19.200
where: short stacking energy: -14.347
Base-Backbone interact. energy: 1.148
local terms energy: -29.222369
where:
bonds (distance) C4'-P energy: -7.870
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -8.213
flat angles P-C4'-P energy: -3.932
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -47.961965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.961965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.961965 (E_RNA)
where:
Base-Base interactions energy: -21.139
where: short stacking energy: -21.103
Base-Backbone interact. energy: -0.019
local terms energy: -26.804434
where:
bonds (distance) C4'-P energy: -7.311
bonds (distance) P-C4' energy: -5.380
flat angles C4'-P-C4' energy: -6.930
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -43.482614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.482614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.482614 (E_RNA)
where:
Base-Base interactions energy: -17.113
where: short stacking energy: -17.113
Base-Backbone interact. energy: -0.115
local terms energy: -26.255006
where:
bonds (distance) C4'-P energy: -4.264
bonds (distance) P-C4' energy: -6.454
flat angles C4'-P-C4' energy: -7.608
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -112.226476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.226476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.226476 (E_RNA)
where:
Base-Base interactions energy: -72.999
where: short stacking energy: -31.214
Base-Backbone interact. energy: -1.300
local terms energy: -37.927126
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -7.360
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -9.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -102.368104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.368104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.368104 (E_RNA)
where:
Base-Base interactions energy: -67.119
where: short stacking energy: -27.870
Base-Backbone interact. energy: -0.876
local terms energy: -34.373042
where:
bonds (distance) C4'-P energy: -7.490
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -4.359
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -102.074767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.074767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.074767 (E_RNA)
where:
Base-Base interactions energy: -66.572
where: short stacking energy: -25.724
Base-Backbone interact. energy: -0.403
local terms energy: -35.099410
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -6.535
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: -6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -107.163413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.163413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.163413 (E_RNA)
where:
Base-Base interactions energy: -70.360
where: short stacking energy: -30.269
Base-Backbone interact. energy: -1.290
local terms energy: -35.513474
where:
bonds (distance) C4'-P energy: -7.944
bonds (distance) P-C4' energy: -8.504
flat angles C4'-P-C4' energy: -7.931
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -90.938377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.938377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.938377 (E_RNA)
where:
Base-Base interactions energy: -53.458
where: short stacking energy: -26.015
Base-Backbone interact. energy: -1.033
local terms energy: -36.446854
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -7.509
flat angles C4'-P-C4' energy: -6.853
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -8.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -51.869848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.869848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.869848 (E_RNA)
where:
Base-Base interactions energy: -20.831
where: short stacking energy: -20.831
Base-Backbone interact. energy: -0.547
local terms energy: -30.491538
where:
bonds (distance) C4'-P energy: -7.353
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -7.208
flat angles P-C4'-P energy: -2.976
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -52.626269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.626269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.626269 (E_RNA)
where:
Base-Base interactions energy: -22.550
where: short stacking energy: -22.550
Base-Backbone interact. energy: -0.087
local terms energy: -29.989502
where:
bonds (distance) C4'-P energy: -5.517
bonds (distance) P-C4' energy: -9.556
flat angles C4'-P-C4' energy: -7.036
flat angles P-C4'-P energy: -4.706
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: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -50.179134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.179134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.179134 (E_RNA)
where:
Base-Base interactions energy: -20.270
where: short stacking energy: -20.270
Base-Backbone interact. energy: -0.124
local terms energy: -29.784639
where:
bonds (distance) C4'-P energy: -5.609
bonds (distance) P-C4' energy: -8.861
flat angles C4'-P-C4' energy: -7.686
flat angles P-C4'-P energy: -4.727
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: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -45.545052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.545052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.545052 (E_RNA)
where:
Base-Base interactions energy: -20.498
where: short stacking energy: -11.303
Base-Backbone interact. energy: 0.372
local terms energy: -25.419146
where:
bonds (distance) C4'-P energy: -6.537
bonds (distance) P-C4' energy: -8.510
flat angles C4'-P-C4' energy: -4.615
flat angles P-C4'-P energy: -3.115
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -45.873281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.873281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.873281 (E_RNA)
where:
Base-Base interactions energy: -22.754
where: short stacking energy: -22.754
Base-Backbone interact. energy: -0.019
local terms energy: -23.100077
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -5.262
flat angles C4'-P-C4' energy: -7.096
flat angles P-C4'-P energy: -2.895
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -108.790145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.790145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.790145 (E_RNA)
where:
Base-Base interactions energy: -69.745
where: short stacking energy: -28.652
Base-Backbone interact. energy: -1.286
local terms energy: -37.759002
where:
bonds (distance) C4'-P energy: -6.620
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -8.620
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -105.684695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.684695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.684695 (E_RNA)
where:
Base-Base interactions energy: -68.457
where: short stacking energy: -28.929
Base-Backbone interact. energy: -1.338
local terms energy: -35.890232
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -6.031
flat angles C4'-P-C4' energy: -6.727
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -7.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -105.156587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.156587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.156587 (E_RNA)
where:
Base-Base interactions energy: -67.790
where: short stacking energy: -29.315
Base-Backbone interact. energy: -0.000
local terms energy: -37.366557
where:
bonds (distance) C4'-P energy: -6.966
bonds (distance) P-C4' energy: -9.575
flat angles C4'-P-C4' energy: -7.864
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -99.641788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.641788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.641788 (E_RNA)
where:
Base-Base interactions energy: -64.011
where: short stacking energy: -25.714
Base-Backbone interact. energy: -0.317
local terms energy: -35.313916
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -6.944
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -63.090127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.090127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.090127 (E_RNA)
where:
Base-Base interactions energy: -32.423
where: short stacking energy: -32.423
Base-Backbone interact. energy: -0.000
local terms energy: -30.666950
where:
bonds (distance) C4'-P energy: -5.219
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -5.821
flat angles P-C4'-P energy: -4.887
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: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -88.704035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.704035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.704035 (E_RNA)
where:
Base-Base interactions energy: -57.735
where: short stacking energy: -22.839
Base-Backbone interact. energy: -0.124
local terms energy: -30.844777
where:
bonds (distance) C4'-P energy: -6.416
bonds (distance) P-C4' energy: -8.432
flat angles C4'-P-C4' energy: -4.603
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -7.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -46.022320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.022320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.022320 (E_RNA)
where:
Base-Base interactions energy: -18.404
where: short stacking energy: -18.404
Base-Backbone interact. energy: -0.011
local terms energy: -27.607519
where:
bonds (distance) C4'-P energy: -7.684
bonds (distance) P-C4' energy: -8.193
flat angles C4'-P-C4' energy: -4.953
flat angles P-C4'-P energy: -2.610
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: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -46.587108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.587108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.587108 (E_RNA)
where:
Base-Base interactions energy: -24.531
where: short stacking energy: -19.016
Base-Backbone interact. energy: -0.122
local terms energy: -21.934599
where:
bonds (distance) C4'-P energy: -7.095
bonds (distance) P-C4' energy: -6.122
flat angles C4'-P-C4' energy: -6.050
flat angles P-C4'-P energy: -1.180
tors. eta vs tors. theta energy: -1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -49.000973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.000973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.000973 (E_RNA)
where:
Base-Base interactions energy: -25.903
where: short stacking energy: -10.148
Base-Backbone interact. energy: -0.311
local terms energy: -22.787165
where:
bonds (distance) C4'-P energy: -5.465
bonds (distance) P-C4' energy: -7.293
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -4.392
tors. eta vs tors. theta energy: 0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -49.757794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.757794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.757794 (E_RNA)
where:
Base-Base interactions energy: -21.162
where: short stacking energy: -13.853
Base-Backbone interact. energy: -0.561
local terms energy: -28.035333
where:
bonds (distance) C4'-P energy: -7.145
bonds (distance) P-C4' energy: -5.744
flat angles C4'-P-C4' energy: -6.958
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -105.398612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.398612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.398612 (E_RNA)
where:
Base-Base interactions energy: -69.495
where: short stacking energy: -28.493
Base-Backbone interact. energy: 0.085
local terms energy: -35.988699
where:
bonds (distance) C4'-P energy: -7.322
bonds (distance) P-C4' energy: -7.041
flat angles C4'-P-C4' energy: -7.115
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -8.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -103.425664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.425664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.425664 (E_RNA)
where:
Base-Base interactions energy: -65.178
where: short stacking energy: -26.976
Base-Backbone interact. energy: -2.334
local terms energy: -35.913392
where:
bonds (distance) C4'-P energy: -8.094
bonds (distance) P-C4' energy: -7.879
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -6.773
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: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -102.680605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.680605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.680605 (E_RNA)
where:
Base-Base interactions energy: -68.108
where: short stacking energy: -26.918
Base-Backbone interact. energy: -0.404
local terms energy: -34.168337
where:
bonds (distance) C4'-P energy: -7.969
bonds (distance) P-C4' energy: -7.238
flat angles C4'-P-C4' energy: -7.940
flat angles P-C4'-P energy: -3.535
tors. eta vs tors. theta energy: -7.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -100.438613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.438613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.438613 (E_RNA)
where:
Base-Base interactions energy: -61.386
where: short stacking energy: -26.298
Base-Backbone interact. energy: -0.001
local terms energy: -39.051540
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -6.994
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -9.376
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: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -52.672277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.672277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.672277 (E_RNA)
where:
Base-Base interactions energy: -21.626
where: short stacking energy: -16.671
Base-Backbone interact. energy: -0.001
local terms energy: -31.045742
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -3.030
tors. eta vs tors. theta energy: -1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -81.424598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.424598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.424598 (E_RNA)
where:
Base-Base interactions energy: -52.064
where: short stacking energy: -21.750
Base-Backbone interact. energy: -1.309
local terms energy: -28.051002
where:
bonds (distance) C4'-P energy: -5.332
bonds (distance) P-C4' energy: -7.699
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -47.498367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.498367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.498367 (E_RNA)
where:
Base-Base interactions energy: -19.165
where: short stacking energy: -14.762
Base-Backbone interact. energy: -0.183
local terms energy: -28.150364
where:
bonds (distance) C4'-P energy: -7.214
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -6.483
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -48.511583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.511583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.511583 (E_RNA)
where:
Base-Base interactions energy: -22.294
where: short stacking energy: -22.294
Base-Backbone interact. energy: -0.055
local terms energy: -26.162087
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.218
flat angles C4'-P-C4' energy: -6.634
flat angles P-C4'-P energy: -1.107
tors. eta vs tors. theta energy: -7.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -42.048392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.048392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.048392 (E_RNA)
where:
Base-Base interactions energy: -12.625
where: short stacking energy: -12.625
Base-Backbone interact. energy: -0.100
local terms energy: -29.323116
where:
bonds (distance) C4'-P energy: -6.611
bonds (distance) P-C4' energy: -7.591
flat angles C4'-P-C4' energy: -7.123
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -47.558102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.558102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.558102 (E_RNA)
where:
Base-Base interactions energy: -16.862
where: short stacking energy: -16.862
Base-Backbone interact. energy: -0.222
local terms energy: -30.474387
where:
bonds (distance) C4'-P energy: -8.342
bonds (distance) P-C4' energy: -7.288
flat angles C4'-P-C4' energy: -6.567
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -107.869628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.869628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.869628 (E_RNA)
where:
Base-Base interactions energy: -71.445
where: short stacking energy: -34.419
Base-Backbone interact. energy: -0.006
local terms energy: -36.418938
where:
bonds (distance) C4'-P energy: -7.614
bonds (distance) P-C4' energy: -7.742
flat angles C4'-P-C4' energy: -7.116
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -105.177748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.177748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.177748 (E_RNA)
where:
Base-Base interactions energy: -69.718
where: short stacking energy: -27.757
Base-Backbone interact. energy: -0.004
local terms energy: -35.455961
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -6.812
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -102.370819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.370819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.370819 (E_RNA)
where:
Base-Base interactions energy: -64.027
where: short stacking energy: -23.484
Base-Backbone interact. energy: -1.640
local terms energy: -36.703760
where:
bonds (distance) C4'-P energy: -7.560
bonds (distance) P-C4' energy: -7.650
flat angles C4'-P-C4' energy: -9.359
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -101.352468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.352468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.352468 (E_RNA)
where:
Base-Base interactions energy: -65.766
where: short stacking energy: -24.191
Base-Backbone interact. energy: -1.935
local terms energy: -33.651689
where:
bonds (distance) C4'-P energy: -4.561
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -6.870
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -99.126781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.126781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.126781 (E_RNA)
where:
Base-Base interactions energy: -70.974
where: short stacking energy: -29.764
Base-Backbone interact. energy: -0.653
local terms energy: -27.499388
where:
bonds (distance) C4'-P energy: -8.076
bonds (distance) P-C4' energy: -3.979
flat angles C4'-P-C4' energy: -6.487
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: -6.022
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: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -54.920944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.920944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.920944 (E_RNA)
where:
Base-Base interactions energy: -21.439
where: short stacking energy: -21.439
Base-Backbone interact. energy: -0.093
local terms energy: -33.388936
where:
bonds (distance) C4'-P energy: -7.348
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -6.704
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -54.142532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.142532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.142532 (E_RNA)
where:
Base-Base interactions energy: -23.284
where: short stacking energy: -22.989
Base-Backbone interact. energy: -0.112
local terms energy: -30.747314
where:
bonds (distance) C4'-P energy: -6.913
bonds (distance) P-C4' energy: -7.652
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -4.314
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: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -59.420710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.420710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.420710 (E_RNA)
where:
Base-Base interactions energy: -26.057
where: short stacking energy: -26.057
Base-Backbone interact. energy: -0.001
local terms energy: -33.363097
where:
bonds (distance) C4'-P energy: -7.178
bonds (distance) P-C4' energy: -8.376
flat angles C4'-P-C4' energy: -5.854
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -5.643
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: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -50.411822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.411822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.411822 (E_RNA)
where:
Base-Base interactions energy: -19.742
where: short stacking energy: -17.646
Base-Backbone interact. energy: -0.001
local terms energy: -30.668893
where:
bonds (distance) C4'-P energy: -8.342
bonds (distance) P-C4' energy: -7.270
flat angles C4'-P-C4' energy: -4.200
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -4.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -43.862812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.862812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.862812 (E_RNA)
where:
Base-Base interactions energy: -29.039
where: short stacking energy: -14.790
Base-Backbone interact. energy: -0.067
local terms energy: -14.756346
where:
bonds (distance) C4'-P energy: -7.116
bonds (distance) P-C4' energy: -7.809
flat angles C4'-P-C4' energy: -3.970
flat angles P-C4'-P energy: 2.395
tors. eta vs tors. theta energy: 1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -108.189406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.189406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.189406 (E_RNA)
where:
Base-Base interactions energy: -71.799
where: short stacking energy: -30.076
Base-Backbone interact. energy: -1.076
local terms energy: -35.314902
where:
bonds (distance) C4'-P energy: -6.185
bonds (distance) P-C4' energy: -7.766
flat angles C4'-P-C4' energy: -7.762
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -107.203956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.203956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.203956 (E_RNA)
where:
Base-Base interactions energy: -72.692
where: short stacking energy: -26.484
Base-Backbone interact. energy: -0.401
local terms energy: -34.111039
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -6.603
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -104.677914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.677914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.677914 (E_RNA)
where:
Base-Base interactions energy: -67.614
where: short stacking energy: -27.989
Base-Backbone interact. energy: -0.516
local terms energy: -36.547490
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -5.851
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -104.155816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.155816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.155816 (E_RNA)
where:
Base-Base interactions energy: -69.696
where: short stacking energy: -29.098
Base-Backbone interact. energy: -1.311
local terms energy: -33.148644
where:
bonds (distance) C4'-P energy: -7.030
bonds (distance) P-C4' energy: -8.097
flat angles C4'-P-C4' energy: -6.463
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -99.438065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.438065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.438065 (E_RNA)
where:
Base-Base interactions energy: -68.017
where: short stacking energy: -27.301
Base-Backbone interact. energy: -0.354
local terms energy: -31.067214
where:
bonds (distance) C4'-P energy: -8.156
bonds (distance) P-C4' energy: -8.246
flat angles C4'-P-C4' energy: -6.499
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -49.373082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.373082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.373082 (E_RNA)
where:
Base-Base interactions energy: -22.966
where: short stacking energy: -12.217
Base-Backbone interact. energy: -0.011
local terms energy: -26.396118
where:
bonds (distance) C4'-P energy: -6.649
bonds (distance) P-C4' energy: -7.498
flat angles C4'-P-C4' energy: -4.598
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -52.149210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.149210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.149210 (E_RNA)
where:
Base-Base interactions energy: -18.932
where: short stacking energy: -18.932
Base-Backbone interact. energy: -0.001
local terms energy: -33.216720
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -8.633
flat angles C4'-P-C4' energy: -6.652
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -55.269209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.269209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.269209 (E_RNA)
where:
Base-Base interactions energy: -35.630
where: short stacking energy: -17.403
Base-Backbone interact. energy: -0.205
local terms energy: -19.433654
where:
bonds (distance) C4'-P energy: -6.661
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -6.525
flat angles P-C4'-P energy: 0.186
tors. eta vs tors. theta energy: 2.228
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: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -44.464099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.464099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.464099 (E_RNA)
where:
Base-Base interactions energy: -17.626
where: short stacking energy: -17.626
Base-Backbone interact. energy: -0.002
local terms energy: -26.836684
where:
bonds (distance) C4'-P energy: -6.094
bonds (distance) P-C4' energy: -6.297
flat angles C4'-P-C4' energy: -7.473
flat angles P-C4'-P energy: -2.439
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -43.570452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.570452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.570452 (E_RNA)
where:
Base-Base interactions energy: -15.068
where: short stacking energy: -15.068
Base-Backbone interact. energy: -0.004
local terms energy: -28.497930
where:
bonds (distance) C4'-P energy: -6.674
bonds (distance) P-C4' energy: -5.566
flat angles C4'-P-C4' energy: -7.505
flat angles P-C4'-P energy: -7.223
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: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -108.496960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.496960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.496960 (E_RNA)
where:
Base-Base interactions energy: -68.011
where: short stacking energy: -28.424
Base-Backbone interact. energy: -1.015
local terms energy: -39.470805
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -7.491
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -7.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -111.805100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.805100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.805100 (E_RNA)
where:
Base-Base interactions energy: -73.074
where: short stacking energy: -29.980
Base-Backbone interact. energy: -0.536
local terms energy: -38.195119
where:
bonds (distance) C4'-P energy: -7.294
bonds (distance) P-C4' energy: -8.866
flat angles C4'-P-C4' energy: -7.148
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -102.659603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.659603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.659603 (E_RNA)
where:
Base-Base interactions energy: -65.861
where: short stacking energy: -27.124
Base-Backbone interact. energy: -0.269
local terms energy: -36.529674
where:
bonds (distance) C4'-P energy: -5.895
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -2.562
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: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -107.471483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.471483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.471483 (E_RNA)
where:
Base-Base interactions energy: -72.777
where: short stacking energy: -30.390
Base-Backbone interact. energy: -0.001
local terms energy: -34.694291
where:
bonds (distance) C4'-P energy: -7.907
bonds (distance) P-C4' energy: -7.404
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -9.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -85.320734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.320734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.320734 (E_RNA)
where:
Base-Base interactions energy: -58.281
where: short stacking energy: -25.566
Base-Backbone interact. energy: -0.605
local terms energy: -26.435324
where:
bonds (distance) C4'-P energy: -5.981
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -5.891
flat angles P-C4'-P energy: -2.333
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -99.412551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.412551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.412551 (E_RNA)
where:
Base-Base interactions energy: -63.176
where: short stacking energy: -25.801
Base-Backbone interact. energy: -0.035
local terms energy: -36.201496
where:
bonds (distance) C4'-P energy: -7.278
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -4.320
tors. eta vs tors. theta energy: -7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -42.380594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.380594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.380594 (E_RNA)
where:
Base-Base interactions energy: -18.409
where: short stacking energy: -13.527
Base-Backbone interact. energy: -0.069
local terms energy: -23.902561
where:
bonds (distance) C4'-P energy: -7.671
bonds (distance) P-C4' energy: -8.444
flat angles C4'-P-C4' energy: -3.492
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: 0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -47.718730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.718730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.718730 (E_RNA)
where:
Base-Base interactions energy: -19.745
where: short stacking energy: -19.745
Base-Backbone interact. energy: -0.009
local terms energy: -27.965312
where:
bonds (distance) C4'-P energy: -7.943
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -7.164
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: -1.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -51.109444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.109444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.109444 (E_RNA)
where:
Base-Base interactions energy: -20.110
where: short stacking energy: -20.110
Base-Backbone interact. energy: -0.009
local terms energy: -30.990024
where:
bonds (distance) C4'-P energy: -6.967
bonds (distance) P-C4' energy: -8.407
flat angles C4'-P-C4' energy: -6.695
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -2.978
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: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -54.480441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.480441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.480441 (E_RNA)
where:
Base-Base interactions energy: -19.811
where: short stacking energy: -19.811
Base-Backbone interact. energy: -0.000
local terms energy: -34.669515
where:
bonds (distance) C4'-P energy: -7.550
bonds (distance) P-C4' energy: -7.587
flat angles C4'-P-C4' energy: -8.001
flat angles P-C4'-P energy: -4.916
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -106.752179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.752179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.752179 (E_RNA)
where:
Base-Base interactions energy: -72.251
where: short stacking energy: -31.649
Base-Backbone interact. energy: -0.567
local terms energy: -33.934398
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -8.051
flat angles C4'-P-C4' energy: -4.062
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -108.590985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.590985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.590985 (E_RNA)
where:
Base-Base interactions energy: -71.593
where: short stacking energy: -29.801
Base-Backbone interact. energy: -0.476
local terms energy: -36.522185
where:
bonds (distance) C4'-P energy: -8.234
bonds (distance) P-C4' energy: -6.948
flat angles C4'-P-C4' energy: -7.567
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -8.627
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: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -106.444068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.444068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.444068 (E_RNA)
where:
Base-Base interactions energy: -68.930
where: short stacking energy: -29.267
Base-Backbone interact. energy: -0.897
local terms energy: -36.617210
where:
bonds (distance) C4'-P energy: -7.596
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -6.350
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -98.366938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.366938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.366938 (E_RNA)
where:
Base-Base interactions energy: -67.014
where: short stacking energy: -27.683
Base-Backbone interact. energy: -0.208
local terms energy: -31.144542
where:
bonds (distance) C4'-P energy: -6.612
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -7.694
flat angles P-C4'-P energy: -4.445
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: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -104.386793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.386793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.386793 (E_RNA)
where:
Base-Base interactions energy: -72.222
where: short stacking energy: -31.236
Base-Backbone interact. energy: -0.949
local terms energy: -31.215511
where:
bonds (distance) C4'-P energy: -7.249
bonds (distance) P-C4' energy: -5.167
flat angles C4'-P-C4' energy: -7.737
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -4.770
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: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -91.190485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.190485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.190485 (E_RNA)
where:
Base-Base interactions energy: -60.980
where: short stacking energy: -27.158
Base-Backbone interact. energy: -0.049
local terms energy: -30.161310
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -4.177
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -56.386323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.386323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.386323 (E_RNA)
where:
Base-Base interactions energy: -21.437
where: short stacking energy: -21.437
Base-Backbone interact. energy: -0.001
local terms energy: -34.948371
where:
bonds (distance) C4'-P energy: -6.689
bonds (distance) P-C4' energy: -5.791
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -48.687936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.687936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.687936 (E_RNA)
where:
Base-Base interactions energy: -18.228
where: short stacking energy: -18.228
Base-Backbone interact. energy: 0.262
local terms energy: -30.722035
where:
bonds (distance) C4'-P energy: -6.487
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -6.388
flat angles P-C4'-P energy: -6.454
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: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -46.468926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.468926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.468926 (E_RNA)
where:
Base-Base interactions energy: -18.373
where: short stacking energy: -17.255
Base-Backbone interact. energy: -0.014
local terms energy: -28.082140
where:
bonds (distance) C4'-P energy: -5.167
bonds (distance) P-C4' energy: -8.422
flat angles C4'-P-C4' energy: -4.567
flat angles P-C4'-P energy: -6.242
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: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -57.043926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.043926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.043926 (E_RNA)
where:
Base-Base interactions energy: -20.839
where: short stacking energy: -20.839
Base-Backbone interact. energy: -0.001
local terms energy: -36.204107
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -6.616
flat angles C4'-P-C4' energy: -7.237
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -107.779816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.779816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.779816 (E_RNA)
where:
Base-Base interactions energy: -68.682
where: short stacking energy: -28.156
Base-Backbone interact. energy: -0.000
local terms energy: -39.098142
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -9.550
flat angles C4'-P-C4' energy: -8.226
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -106.673640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.673640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.673640 (E_RNA)
where:
Base-Base interactions energy: -71.020
where: short stacking energy: -31.797
Base-Backbone interact. energy: -1.450
local terms energy: -34.202975
where:
bonds (distance) C4'-P energy: -8.420
bonds (distance) P-C4' energy: -5.961
flat angles C4'-P-C4' energy: -7.808
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -6.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -103.089574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.089574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.089574 (E_RNA)
where:
Base-Base interactions energy: -64.773
where: short stacking energy: -26.414
Base-Backbone interact. energy: -0.074
local terms energy: -38.242237
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -99.466594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.466594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.466594 (E_RNA)
where:
Base-Base interactions energy: -65.114
where: short stacking energy: -24.792
Base-Backbone interact. energy: -0.095
local terms energy: -34.257298
where:
bonds (distance) C4'-P energy: -8.032
bonds (distance) P-C4' energy: -7.812
flat angles C4'-P-C4' energy: -8.727
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -5.502
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: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -91.567752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.567752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.567752 (E_RNA)
where:
Base-Base interactions energy: -59.430
where: short stacking energy: -25.765
Base-Backbone interact. energy: -0.001
local terms energy: -32.137118
where:
bonds (distance) C4'-P energy: -7.998
bonds (distance) P-C4' energy: -4.793
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -94.215142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.215142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.215142 (E_RNA)
where:
Base-Base interactions energy: -61.829
where: short stacking energy: -24.008
Base-Backbone interact. energy: -1.118
local terms energy: -31.267684
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -2.507
flat angles C4'-P-C4' energy: -7.652
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -56.235689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.235689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.235689 (E_RNA)
where:
Base-Base interactions energy: -25.556
where: short stacking energy: -25.556
Base-Backbone interact. energy: -0.003
local terms energy: -30.676688
where:
bonds (distance) C4'-P energy: -7.480
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -7.597
flat angles P-C4'-P energy: -2.356
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -47.165408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.165408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.165408 (E_RNA)
where:
Base-Base interactions energy: -19.641
where: short stacking energy: -19.641
Base-Backbone interact. energy: 1.052
local terms energy: -28.576620
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -5.939
flat angles C4'-P-C4' energy: -4.624
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -41.782315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.782315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.782315 (E_RNA)
where:
Base-Base interactions energy: -13.766
where: short stacking energy: -9.695
Base-Backbone interact. energy: -0.118
local terms energy: -27.898019
where:
bonds (distance) C4'-P energy: -7.472
bonds (distance) P-C4' energy: -7.820
flat angles C4'-P-C4' energy: -7.024
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: 0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -44.371749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.371749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.371749 (E_RNA)
where:
Base-Base interactions energy: -14.876
where: short stacking energy: -14.876
Base-Backbone interact. energy: -0.012
local terms energy: -29.484666
where:
bonds (distance) C4'-P energy: -7.721
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -3.683
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -107.105965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.105965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.105965 (E_RNA)
where:
Base-Base interactions energy: -69.813
where: short stacking energy: -32.046
Base-Backbone interact. energy: -1.152
local terms energy: -36.140979
where:
bonds (distance) C4'-P energy: -7.684
bonds (distance) P-C4' energy: -9.567
flat angles C4'-P-C4' energy: -7.365
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -103.314362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.314362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.314362 (E_RNA)
where:
Base-Base interactions energy: -67.763
where: short stacking energy: -28.553
Base-Backbone interact. energy: -0.003
local terms energy: -35.548587
where:
bonds (distance) C4'-P energy: -7.356
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -7.928
flat angles P-C4'-P energy: -5.403
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: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -106.156095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.156095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.156095 (E_RNA)
where:
Base-Base interactions energy: -72.001
where: short stacking energy: -27.917
Base-Backbone interact. energy: -0.003
local terms energy: -34.152446
where:
bonds (distance) C4'-P energy: -7.141
bonds (distance) P-C4' energy: -6.815
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -101.873251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.873251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.873251 (E_RNA)
where:
Base-Base interactions energy: -68.187
where: short stacking energy: -26.299
Base-Backbone interact. energy: -0.002
local terms energy: -33.684852
where:
bonds (distance) C4'-P energy: -5.803
bonds (distance) P-C4' energy: -7.950
flat angles C4'-P-C4' energy: -7.485
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -92.642955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.642955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.642955 (E_RNA)
where:
Base-Base interactions energy: -55.873
where: short stacking energy: -23.909
Base-Backbone interact. energy: -1.692
local terms energy: -35.077738
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -5.509
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -98.328401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.328401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.328401 (E_RNA)
where:
Base-Base interactions energy: -65.778
where: short stacking energy: -25.139
Base-Backbone interact. energy: -0.900
local terms energy: -31.650207
where:
bonds (distance) C4'-P energy: -6.061
bonds (distance) P-C4' energy: -7.545
flat angles C4'-P-C4' energy: -5.871
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -60.662176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.662176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.662176 (E_RNA)
where:
Base-Base interactions energy: -26.273
where: short stacking energy: -26.273
Base-Backbone interact. energy: -0.000
local terms energy: -34.388499
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -7.030
flat angles P-C4'-P energy: -3.076
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: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -46.416005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.416005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.416005 (E_RNA)
where:
Base-Base interactions energy: -17.986
where: short stacking energy: -14.784
Base-Backbone interact. energy: -0.030
local terms energy: -28.399661
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -9.038
flat angles C4'-P-C4' energy: -5.075
flat angles P-C4'-P energy: -3.938
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: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -70.438672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.438672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.438672 (E_RNA)
where:
Base-Base interactions energy: -37.817
where: short stacking energy: -31.644
Base-Backbone interact. energy: -0.169
local terms energy: -32.452498
where:
bonds (distance) C4'-P energy: -6.718
bonds (distance) P-C4' energy: -4.825
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -5.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -39.268941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.268941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.268941 (E_RNA)
where:
Base-Base interactions energy: -11.152
where: short stacking energy: -11.152
Base-Backbone interact. energy: -0.016
local terms energy: -28.101020
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -106.394531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.394531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.394531 (E_RNA)
where:
Base-Base interactions energy: -67.437
where: short stacking energy: -29.743
Base-Backbone interact. energy: -0.227
local terms energy: -38.731108
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -7.615
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: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -105.207395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.207395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.207395 (E_RNA)
where:
Base-Base interactions energy: -70.045
where: short stacking energy: -24.338
Base-Backbone interact. energy: -1.333
local terms energy: -33.829538
where:
bonds (distance) C4'-P energy: -7.642
bonds (distance) P-C4' energy: -6.974
flat angles C4'-P-C4' energy: -7.616
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -103.234729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.234729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.234729 (E_RNA)
where:
Base-Base interactions energy: -64.467
where: short stacking energy: -31.547
Base-Backbone interact. energy: -0.021
local terms energy: -38.746981
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -8.484
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -104.144436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.144436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.144436 (E_RNA)
where:
Base-Base interactions energy: -70.288
where: short stacking energy: -32.310
Base-Backbone interact. energy: -0.279
local terms energy: -33.576912
where:
bonds (distance) C4'-P energy: -5.395
bonds (distance) P-C4' energy: -9.131
flat angles C4'-P-C4' energy: -6.658
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -92.120583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.120583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.120583 (E_RNA)
where:
Base-Base interactions energy: -62.321
where: short stacking energy: -22.149
Base-Backbone interact. energy: -0.745
local terms energy: -29.054419
where:
bonds (distance) C4'-P energy: -6.078
bonds (distance) P-C4' energy: -7.953
flat angles C4'-P-C4' energy: -5.837
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -94.027853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.027853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.027853 (E_RNA)
where:
Base-Base interactions energy: -56.697
where: short stacking energy: -20.260
Base-Backbone interact. energy: -2.044
local terms energy: -35.286987
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -7.815
flat angles C4'-P-C4' energy: -7.419
flat angles P-C4'-P energy: -6.885
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: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -58.029373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.029373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.029373 (E_RNA)
where:
Base-Base interactions energy: -26.017
where: short stacking energy: -14.388
Base-Backbone interact. energy: -0.086
local terms energy: -31.926534
where:
bonds (distance) C4'-P energy: -5.375
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -6.924
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -4.563
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: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -43.929083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.929083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.929083 (E_RNA)
where:
Base-Base interactions energy: -15.012
where: short stacking energy: -10.087
Base-Backbone interact. energy: -0.515
local terms energy: -28.401377
where:
bonds (distance) C4'-P energy: -7.844
bonds (distance) P-C4' energy: -7.925
flat angles C4'-P-C4' energy: -7.911
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: -0.619
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: 70
Temperature: 1.300000
Total energy: -53.330091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.330091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.330091 (E_RNA)
where:
Base-Base interactions energy: -29.489
where: short stacking energy: -21.597
Base-Backbone interact. energy: -1.594
local terms energy: -22.247474
where:
bonds (distance) C4'-P energy: -5.113
bonds (distance) P-C4' energy: -3.259
flat angles C4'-P-C4' energy: -6.266
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -41.713684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.713684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.713684 (E_RNA)
where:
Base-Base interactions energy: -14.523
where: short stacking energy: -14.523
Base-Backbone interact. energy: -0.095
local terms energy: -27.095360
where:
bonds (distance) C4'-P energy: -6.797
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -7.902
flat angles P-C4'-P energy: -1.848
tors. eta vs tors. theta energy: -2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -110.266368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.266368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.266368 (E_RNA)
where:
Base-Base interactions energy: -71.223
where: short stacking energy: -28.542
Base-Backbone interact. energy: -1.610
local terms energy: -37.433043
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -7.551
flat angles C4'-P-C4' energy: -7.268
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -9.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -104.823383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.823383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.823383 (E_RNA)
where:
Base-Base interactions energy: -69.631
where: short stacking energy: -29.938
Base-Backbone interact. energy: -0.024
local terms energy: -35.168979
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -6.811
flat angles P-C4'-P energy: -3.649
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -102.716051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.716051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.716051 (E_RNA)
where:
Base-Base interactions energy: -65.916
where: short stacking energy: -27.254
Base-Backbone interact. energy: -0.616
local terms energy: -36.184073
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -8.447
flat angles C4'-P-C4' energy: -5.900
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -102.737852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.737852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.737852 (E_RNA)
where:
Base-Base interactions energy: -66.543
where: short stacking energy: -26.826
Base-Backbone interact. energy: -0.000
local terms energy: -36.195023
where:
bonds (distance) C4'-P energy: -7.560
bonds (distance) P-C4' energy: -9.134
flat angles C4'-P-C4' energy: -7.755
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -102.005953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.005953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.005953 (E_RNA)
where:
Base-Base interactions energy: -64.238
where: short stacking energy: -26.247
Base-Backbone interact. energy: -1.049
local terms energy: -36.718435
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -7.811
flat angles C4'-P-C4' energy: -7.911
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -103.884822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.884822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.884822 (E_RNA)
where:
Base-Base interactions energy: -69.818
where: short stacking energy: -30.791
Base-Backbone interact. energy: -0.138
local terms energy: -33.928460
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -7.717
flat angles C4'-P-C4' energy: -6.551
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -8.663
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: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -53.024826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.024826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.024826 (E_RNA)
where:
Base-Base interactions energy: -23.459
where: short stacking energy: -23.459
Base-Backbone interact. energy: -0.286
local terms energy: -29.279898
where:
bonds (distance) C4'-P energy: -6.806
bonds (distance) P-C4' energy: -6.395
flat angles C4'-P-C4' energy: -5.758
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -4.120
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: 71
Temperature: 1.250000
Total energy: -58.274568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.274568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.274568 (E_RNA)
where:
Base-Base interactions energy: -22.663
where: short stacking energy: -22.663
Base-Backbone interact. energy: -0.050
local terms energy: -35.562466
where:
bonds (distance) C4'-P energy: -8.843
bonds (distance) P-C4' energy: -8.411
flat angles C4'-P-C4' energy: -8.312
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -44.408168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.408168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.408168 (E_RNA)
where:
Base-Base interactions energy: -15.938
where: short stacking energy: -15.938
Base-Backbone interact. energy: -0.178
local terms energy: -28.292742
where:
bonds (distance) C4'-P energy: -6.201
bonds (distance) P-C4' energy: -9.098
flat angles C4'-P-C4' energy: -8.410
flat angles P-C4'-P energy: -2.746
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -38.989551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.989551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.989551 (E_RNA)
where:
Base-Base interactions energy: -13.529
where: short stacking energy: -7.895
Base-Backbone interact. energy: -0.002
local terms energy: -25.458881
where:
bonds (distance) C4'-P energy: -5.493
bonds (distance) P-C4' energy: -6.710
flat angles C4'-P-C4' energy: -6.349
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -108.506111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.506111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.506111 (E_RNA)
where:
Base-Base interactions energy: -72.679
where: short stacking energy: -30.859
Base-Backbone interact. energy: -0.893
local terms energy: -34.933694
where:
bonds (distance) C4'-P energy: -7.232
bonds (distance) P-C4' energy: -7.938
flat angles C4'-P-C4' energy: -7.285
flat angles P-C4'-P energy: -4.793
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -102.727679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.727679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.727679 (E_RNA)
where:
Base-Base interactions energy: -65.462
where: short stacking energy: -25.860
Base-Backbone interact. energy: -0.000
local terms energy: -37.265638
where:
bonds (distance) C4'-P energy: -8.156
bonds (distance) P-C4' energy: -5.314
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -8.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -101.510757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.510757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.510757 (E_RNA)
where:
Base-Base interactions energy: -67.680
where: short stacking energy: -25.710
Base-Backbone interact. energy: -0.005
local terms energy: -33.826680
where:
bonds (distance) C4'-P energy: -5.052
bonds (distance) P-C4' energy: -8.612
flat angles C4'-P-C4' energy: -7.749
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -102.079573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.079573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.079573 (E_RNA)
where:
Base-Base interactions energy: -69.102
where: short stacking energy: -28.339
Base-Backbone interact. energy: -1.440
local terms energy: -31.537785
where:
bonds (distance) C4'-P energy: -5.087
bonds (distance) P-C4' energy: -7.295
flat angles C4'-P-C4' energy: -5.085
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -100.045810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.045810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.045810 (E_RNA)
where:
Base-Base interactions energy: -67.628
where: short stacking energy: -24.251
Base-Backbone interact. energy: 0.328
local terms energy: -32.745699
where:
bonds (distance) C4'-P energy: -7.223
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -6.062
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -95.235964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.235964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.235964 (E_RNA)
where:
Base-Base interactions energy: -62.114
where: short stacking energy: -23.093
Base-Backbone interact. energy: -0.225
local terms energy: -32.897573
where:
bonds (distance) C4'-P energy: -6.176
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -8.037
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -5.214
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: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -53.817762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.817762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.817762 (E_RNA)
where:
Base-Base interactions energy: -26.878
where: short stacking energy: -26.878
Base-Backbone interact. energy: -0.009
local terms energy: -26.931262
where:
bonds (distance) C4'-P energy: -3.266
bonds (distance) P-C4' energy: -7.689
flat angles C4'-P-C4' energy: -4.974
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -53.712083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.712083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.712083 (E_RNA)
where:
Base-Base interactions energy: -22.108
where: short stacking energy: -22.108
Base-Backbone interact. energy: -0.000
local terms energy: -31.603582
where:
bonds (distance) C4'-P energy: -7.418
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -8.038
flat angles P-C4'-P energy: -3.615
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -46.870854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.870854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.870854 (E_RNA)
where:
Base-Base interactions energy: -18.787
where: short stacking energy: -14.628
Base-Backbone interact. energy: -0.006
local terms energy: -28.077721
where:
bonds (distance) C4'-P energy: -4.135
bonds (distance) P-C4' energy: -8.805
flat angles C4'-P-C4' energy: -5.783
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -6.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -42.117463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.117463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.117463 (E_RNA)
where:
Base-Base interactions energy: -14.228
where: short stacking energy: -14.228
Base-Backbone interact. energy: -0.001
local terms energy: -27.888756
where:
bonds (distance) C4'-P energy: -4.343
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -6.536
flat angles P-C4'-P energy: -2.716
tors. eta vs tors. theta energy: -6.511
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: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -108.059213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.059213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.059213 (E_RNA)
where:
Base-Base interactions energy: -72.698
where: short stacking energy: -29.836
Base-Backbone interact. energy: -0.000
local terms energy: -35.361542
where:
bonds (distance) C4'-P energy: -7.695
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -8.752
flat angles P-C4'-P energy: -2.580
tors. eta vs tors. theta energy: -6.986
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: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -102.707619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.707619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.707619 (E_RNA)
where:
Base-Base interactions energy: -65.564
where: short stacking energy: -29.488
Base-Backbone interact. energy: -0.045
local terms energy: -37.098132
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -7.549
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -8.030
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: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -103.799004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.799004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.799004 (E_RNA)
where:
Base-Base interactions energy: -68.755
where: short stacking energy: -27.553
Base-Backbone interact. energy: -0.542
local terms energy: -34.502824
where:
bonds (distance) C4'-P energy: -7.373
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -103.663630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.663630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.663630 (E_RNA)
where:
Base-Base interactions energy: -71.720
where: short stacking energy: -31.039
Base-Backbone interact. energy: -0.041
local terms energy: -31.903055
where:
bonds (distance) C4'-P energy: -7.311
bonds (distance) P-C4' energy: -7.739
flat angles C4'-P-C4' energy: -4.865
flat angles P-C4'-P energy: -2.413
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -102.757510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.757510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.757510 (E_RNA)
where:
Base-Base interactions energy: -64.798
where: short stacking energy: -29.099
Base-Backbone interact. energy: -1.456
local terms energy: -36.503258
where:
bonds (distance) C4'-P energy: -6.595
bonds (distance) P-C4' energy: -8.444
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -99.839473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.839473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.839473 (E_RNA)
where:
Base-Base interactions energy: -68.243
where: short stacking energy: -28.249
Base-Backbone interact. energy: -0.129
local terms energy: -31.468293
where:
bonds (distance) C4'-P energy: -6.176
bonds (distance) P-C4' energy: -7.591
flat angles C4'-P-C4' energy: -7.070
flat angles P-C4'-P energy: -4.465
tors. eta vs tors. theta energy: -6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -49.794078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.794078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.794078 (E_RNA)
where:
Base-Base interactions energy: -19.631
where: short stacking energy: -16.830
Base-Backbone interact. energy: -0.086
local terms energy: -30.077565
where:
bonds (distance) C4'-P energy: -5.952
bonds (distance) P-C4' energy: -8.013
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -49.438288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.438288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.438288 (E_RNA)
where:
Base-Base interactions energy: -19.571
where: short stacking energy: -19.571
Base-Backbone interact. energy: -0.021
local terms energy: -29.845547
where:
bonds (distance) C4'-P energy: -4.433
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -8.091
flat angles P-C4'-P energy: -1.965
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -47.698277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.698277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.698277 (E_RNA)
where:
Base-Base interactions energy: -19.521
where: short stacking energy: -19.521
Base-Backbone interact. energy: -0.368
local terms energy: -27.809216
where:
bonds (distance) C4'-P energy: -7.811
bonds (distance) P-C4' energy: -5.802
flat angles C4'-P-C4' energy: -7.371
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -49.001475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.001475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.001475 (E_RNA)
where:
Base-Base interactions energy: -14.970
where: short stacking energy: -14.970
Base-Backbone interact. energy: -0.144
local terms energy: -33.888085
where:
bonds (distance) C4'-P energy: -5.477
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -4.527
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: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -110.366982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.366982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.366982 (E_RNA)
where:
Base-Base interactions energy: -71.128
where: short stacking energy: -29.569
Base-Backbone interact. energy: -0.241
local terms energy: -38.998535
where:
bonds (distance) C4'-P energy: -7.676
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -106.068522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.068522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.068522 (E_RNA)
where:
Base-Base interactions energy: -69.493
where: short stacking energy: -25.732
Base-Backbone interact. energy: -0.682
local terms energy: -35.893553
where:
bonds (distance) C4'-P energy: -7.231
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -6.645
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -8.910
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: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -100.048803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.048803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.048803 (E_RNA)
where:
Base-Base interactions energy: -61.730
where: short stacking energy: -27.320
Base-Backbone interact. energy: -0.078
local terms energy: -38.240538
where:
bonds (distance) C4'-P energy: -7.580
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -95.188313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.188313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.188313 (E_RNA)
where:
Base-Base interactions energy: -60.925
where: short stacking energy: -23.827
Base-Backbone interact. energy: -1.657
local terms energy: -32.605987
where:
bonds (distance) C4'-P energy: -8.031
bonds (distance) P-C4' energy: -8.379
flat angles C4'-P-C4' energy: -5.149
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -101.000512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.000512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.000512 (E_RNA)
where:
Base-Base interactions energy: -68.384
where: short stacking energy: -24.567
Base-Backbone interact. energy: -0.000
local terms energy: -32.616541
where:
bonds (distance) C4'-P energy: -7.091
bonds (distance) P-C4' energy: -6.289
flat angles C4'-P-C4' energy: -8.279
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -97.226858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.226858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.226858 (E_RNA)
where:
Base-Base interactions energy: -69.155
where: short stacking energy: -26.990
Base-Backbone interact. energy: 0.181
local terms energy: -28.253193
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -7.527
flat angles C4'-P-C4' energy: -2.986
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -5.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -59.342084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.342084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.342084 (E_RNA)
where:
Base-Base interactions energy: -37.576
where: short stacking energy: -14.273
Base-Backbone interact. energy: -0.236
local terms energy: -21.530312
where:
bonds (distance) C4'-P energy: -4.934
bonds (distance) P-C4' energy: -7.325
flat angles C4'-P-C4' energy: -2.897
flat angles P-C4'-P energy: -5.921
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: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -76.280570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.280570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.280570 (E_RNA)
where:
Base-Base interactions energy: -50.531
where: short stacking energy: -27.057
Base-Backbone interact. energy: -0.606
local terms energy: -25.143550
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -4.598
flat angles C4'-P-C4' energy: -7.257
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -40.776772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.776772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.776772 (E_RNA)
where:
Base-Base interactions energy: -20.234
where: short stacking energy: -20.234
Base-Backbone interact. energy: -0.039
local terms energy: -20.504221
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -3.289
flat angles C4'-P-C4' energy: -7.530
flat angles P-C4'-P energy: -1.555
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -49.888385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.888385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.888385 (E_RNA)
where:
Base-Base interactions energy: -25.026
where: short stacking energy: -15.843
Base-Backbone interact. energy: -0.184
local terms energy: -24.678436
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -2.963
flat angles C4'-P-C4' energy: -6.464
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -0.024
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: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -109.573547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.573547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.573547 (E_RNA)
where:
Base-Base interactions energy: -74.091
where: short stacking energy: -32.392
Base-Backbone interact. energy: -0.006
local terms energy: -35.476844
where:
bonds (distance) C4'-P energy: -7.989
bonds (distance) P-C4' energy: -8.189
flat angles C4'-P-C4' energy: -5.975
flat angles P-C4'-P energy: -4.821
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -106.752784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.752784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.752784 (E_RNA)
where:
Base-Base interactions energy: -71.750
where: short stacking energy: -31.777
Base-Backbone interact. energy: -0.238
local terms energy: -34.764710
where:
bonds (distance) C4'-P energy: -4.952
bonds (distance) P-C4' energy: -8.267
flat angles C4'-P-C4' energy: -6.548
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -8.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -103.612362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.612362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.612362 (E_RNA)
where:
Base-Base interactions energy: -69.325
where: short stacking energy: -30.345
Base-Backbone interact. energy: -0.728
local terms energy: -33.559296
where:
bonds (distance) C4'-P energy: -7.232
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -5.507
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -102.690350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.690350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.690350 (E_RNA)
where:
Base-Base interactions energy: -67.248
where: short stacking energy: -30.764
Base-Backbone interact. energy: -1.420
local terms energy: -34.022350
where:
bonds (distance) C4'-P energy: -8.896
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.179
flat angles P-C4'-P energy: -6.131
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: 5, replica: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -103.564633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.564633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.564633 (E_RNA)
where:
Base-Base interactions energy: -69.598
where: short stacking energy: -30.867
Base-Backbone interact. energy: -0.162
local terms energy: -33.804766
where:
bonds (distance) C4'-P energy: -7.907
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -7.405
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -98.424478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.424478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.424478 (E_RNA)
where:
Base-Base interactions energy: -64.335
where: short stacking energy: -26.768
Base-Backbone interact. energy: -2.237
local terms energy: -31.852787
where:
bonds (distance) C4'-P energy: -5.447
bonds (distance) P-C4' energy: -7.503
flat angles C4'-P-C4' energy: -5.455
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -6.304
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: 7, replica: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -72.520491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.520491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.520491 (E_RNA)
where:
Base-Base interactions energy: -40.430
where: short stacking energy: -16.734
Base-Backbone interact. energy: -0.447
local terms energy: -31.643124
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -9.578
flat angles C4'-P-C4' energy: -4.105
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -48.869331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.869331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.869331 (E_RNA)
where:
Base-Base interactions energy: -17.871
where: short stacking energy: -16.719
Base-Backbone interact. energy: -0.000
local terms energy: -30.998155
where:
bonds (distance) C4'-P energy: -8.110
bonds (distance) P-C4' energy: -6.779
flat angles C4'-P-C4' energy: -5.855
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -49.266638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.266638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.266638 (E_RNA)
where:
Base-Base interactions energy: -20.967
where: short stacking energy: -20.967
Base-Backbone interact. energy: 0.790
local terms energy: -29.088816
where:
bonds (distance) C4'-P energy: -5.084
bonds (distance) P-C4' energy: -6.205
flat angles C4'-P-C4' energy: -6.983
flat angles P-C4'-P energy: -5.260
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: 75
Temperature: 1.350000
Total energy: -46.192489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.192489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.192489 (E_RNA)
where:
Base-Base interactions energy: -19.344
where: short stacking energy: -19.344
Base-Backbone interact. energy: -0.144
local terms energy: -26.704900
where:
bonds (distance) C4'-P energy: -7.364
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -6.384
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -105.139364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.139364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.139364 (E_RNA)
where:
Base-Base interactions energy: -71.856
where: short stacking energy: -25.725
Base-Backbone interact. energy: -0.033
local terms energy: -33.250411
where:
bonds (distance) C4'-P energy: -7.493
bonds (distance) P-C4' energy: -7.871
flat angles C4'-P-C4' energy: -6.213
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -104.182427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.182427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.182427 (E_RNA)
where:
Base-Base interactions energy: -68.475
where: short stacking energy: -26.029
Base-Backbone interact. energy: -0.186
local terms energy: -35.521674
where:
bonds (distance) C4'-P energy: -6.425
bonds (distance) P-C4' energy: -8.348
flat angles C4'-P-C4' energy: -8.249
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -6.395
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: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -102.718421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.718421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.718421 (E_RNA)
where:
Base-Base interactions energy: -66.953
where: short stacking energy: -28.935
Base-Backbone interact. energy: -0.399
local terms energy: -35.366674
where:
bonds (distance) C4'-P energy: -7.808
bonds (distance) P-C4' energy: -8.281
flat angles C4'-P-C4' energy: -6.659
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -103.335194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.335194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.335194 (E_RNA)
where:
Base-Base interactions energy: -71.620
where: short stacking energy: -29.856
Base-Backbone interact. energy: -0.506
local terms energy: -31.209025
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -8.397
flat angles C4'-P-C4' energy: -4.043
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -8.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -92.955301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.955301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.955301 (E_RNA)
where:
Base-Base interactions energy: -61.559
where: short stacking energy: -24.323
Base-Backbone interact. energy: 0.877
local terms energy: -32.273861
where:
bonds (distance) C4'-P energy: -6.272
bonds (distance) P-C4' energy: -8.569
flat angles C4'-P-C4' energy: -7.116
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -6.742
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: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -96.799523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.799523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.799523 (E_RNA)
where:
Base-Base interactions energy: -64.543
where: short stacking energy: -27.034
Base-Backbone interact. energy: -0.554
local terms energy: -31.701736
where:
bonds (distance) C4'-P energy: -6.478
bonds (distance) P-C4' energy: -8.168
flat angles C4'-P-C4' energy: -5.200
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -53.457695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.457695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.457695 (E_RNA)
where:
Base-Base interactions energy: -23.304
where: short stacking energy: -23.304
Base-Backbone interact. energy: -0.136
local terms energy: -30.017068
where:
bonds (distance) C4'-P energy: -7.241
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -7.462
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -51.016415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.016415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.016415 (E_RNA)
where:
Base-Base interactions energy: -18.281
where: short stacking energy: -18.281
Base-Backbone interact. energy: -0.000
local terms energy: -32.735314
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -8.397
flat angles C4'-P-C4' energy: -7.526
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -46.429980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.429980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.429980 (E_RNA)
where:
Base-Base interactions energy: -19.630
where: short stacking energy: -19.630
Base-Backbone interact. energy: -0.035
local terms energy: -26.764259
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -8.020
flat angles C4'-P-C4' energy: -2.654
flat angles P-C4'-P energy: -4.291
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -42.867828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.867828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.867828 (E_RNA)
where:
Base-Base interactions energy: -17.779
where: short stacking energy: -16.595
Base-Backbone interact. energy: 0.707
local terms energy: -25.795084
where:
bonds (distance) C4'-P energy: -6.072
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -4.450
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -110.634194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.634194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.634194 (E_RNA)
where:
Base-Base interactions energy: -71.241
where: short stacking energy: -29.702
Base-Backbone interact. energy: -0.991
local terms energy: -38.402769
where:
bonds (distance) C4'-P energy: -7.836
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -8.215
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: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -105.378100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.378100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.378100 (E_RNA)
where:
Base-Base interactions energy: -69.734
where: short stacking energy: -28.348
Base-Backbone interact. energy: -1.999
local terms energy: -33.645300
where:
bonds (distance) C4'-P energy: -7.916
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -3.199
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -104.470125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.470125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.470125 (E_RNA)
where:
Base-Base interactions energy: -67.143
where: short stacking energy: -26.555
Base-Backbone interact. energy: -0.146
local terms energy: -37.181183
where:
bonds (distance) C4'-P energy: -6.235
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -8.503
flat angles P-C4'-P energy: -4.898
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: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -103.704444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.704444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.704444 (E_RNA)
where:
Base-Base interactions energy: -71.863
where: short stacking energy: -28.550
Base-Backbone interact. energy: -0.157
local terms energy: -31.684543
where:
bonds (distance) C4'-P energy: -7.952
bonds (distance) P-C4' energy: -8.168
flat angles C4'-P-C4' energy: -4.897
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -102.872658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.872658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.872658 (E_RNA)
where:
Base-Base interactions energy: -69.183
where: short stacking energy: -31.852
Base-Backbone interact. energy: -0.757
local terms energy: -32.932610
where:
bonds (distance) C4'-P energy: -6.781
bonds (distance) P-C4' energy: -8.411
flat angles C4'-P-C4' energy: -7.453
flat angles P-C4'-P energy: -0.939
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: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -97.872244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.872244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.872244 (E_RNA)
where:
Base-Base interactions energy: -64.660
where: short stacking energy: -29.221
Base-Backbone interact. energy: -0.005
local terms energy: -33.207707
where:
bonds (distance) C4'-P energy: -6.512
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -6.426
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -7.384
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: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -55.345057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.345057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.345057 (E_RNA)
where:
Base-Base interactions energy: -24.089
where: short stacking energy: -24.089
Base-Backbone interact. energy: -0.000
local terms energy: -31.255816
where:
bonds (distance) C4'-P energy: -3.787
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -7.336
flat angles P-C4'-P energy: -4.488
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: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -51.474896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.474896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.474896 (E_RNA)
where:
Base-Base interactions energy: -24.822
where: short stacking energy: -24.580
Base-Backbone interact. energy: -0.005
local terms energy: -26.647403
where:
bonds (distance) C4'-P energy: -5.485
bonds (distance) P-C4' energy: -5.920
flat angles C4'-P-C4' energy: -6.029
flat angles P-C4'-P energy: -3.706
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -53.353571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.353571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.353571 (E_RNA)
where:
Base-Base interactions energy: -24.306
where: short stacking energy: -24.306
Base-Backbone interact. energy: -0.000
local terms energy: -29.047143
where:
bonds (distance) C4'-P energy: -2.458
bonds (distance) P-C4' energy: -5.959
flat angles C4'-P-C4' energy: -6.872
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -8.391
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: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -49.261631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.261631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.261631 (E_RNA)
where:
Base-Base interactions energy: -22.704
where: short stacking energy: -22.704
Base-Backbone interact. energy: -0.001
local terms energy: -26.557050
where:
bonds (distance) C4'-P energy: -4.541
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -7.231
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -108.055539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.055539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.055539 (E_RNA)
where:
Base-Base interactions energy: -70.646
where: short stacking energy: -28.630
Base-Backbone interact. energy: -0.108
local terms energy: -37.300981
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -8.968
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -106.864708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.864708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.864708 (E_RNA)
where:
Base-Base interactions energy: -70.917
where: short stacking energy: -29.723
Base-Backbone interact. energy: -0.000
local terms energy: -35.946727
where:
bonds (distance) C4'-P energy: -8.420
bonds (distance) P-C4' energy: -8.376
flat angles C4'-P-C4' energy: -7.744
flat angles P-C4'-P energy: -4.812
tors. eta vs tors. theta energy: -6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -103.199397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.199397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.199397 (E_RNA)
where:
Base-Base interactions energy: -63.392
where: short stacking energy: -27.745
Base-Backbone interact. energy: -2.109
local terms energy: -37.698493
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -7.652
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -89.608612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.608612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.608612 (E_RNA)
where:
Base-Base interactions energy: -59.067
where: short stacking energy: -20.030
Base-Backbone interact. energy: -0.096
local terms energy: -30.446152
where:
bonds (distance) C4'-P energy: -5.150
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -102.071558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.071558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.071558 (E_RNA)
where:
Base-Base interactions energy: -68.259
where: short stacking energy: -27.386
Base-Backbone interact. energy: -0.804
local terms energy: -33.008611
where:
bonds (distance) C4'-P energy: -7.216
bonds (distance) P-C4' energy: -8.091
flat angles C4'-P-C4' energy: -4.950
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -8.062
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: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -88.538889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.538889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.538889 (E_RNA)
where:
Base-Base interactions energy: -57.387
where: short stacking energy: -23.896
Base-Backbone interact. energy: -0.124
local terms energy: -31.028175
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -6.408
flat angles C4'-P-C4' energy: -5.288
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -53.756983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.756983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.756983 (E_RNA)
where:
Base-Base interactions energy: -22.213
where: short stacking energy: -22.213
Base-Backbone interact. energy: -0.001
local terms energy: -31.542658
where:
bonds (distance) C4'-P energy: -6.557
bonds (distance) P-C4' energy: -8.612
flat angles C4'-P-C4' energy: -5.664
flat angles P-C4'-P energy: -2.091
tors. eta vs tors. theta energy: -8.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -50.883715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.883715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.883715 (E_RNA)
where:
Base-Base interactions energy: -22.639
where: short stacking energy: -22.639
Base-Backbone interact. energy: -0.085
local terms energy: -28.160137
where:
bonds (distance) C4'-P energy: -7.534
bonds (distance) P-C4' energy: -5.308
flat angles C4'-P-C4' energy: -8.514
flat angles P-C4'-P energy: -4.137
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: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -66.814868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.814868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.814868 (E_RNA)
where:
Base-Base interactions energy: -30.047
where: short stacking energy: -19.353
Base-Backbone interact. energy: -0.000
local terms energy: -36.768179
where:
bonds (distance) C4'-P energy: -8.139
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -8.567
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -46.442763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.442763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.442763 (E_RNA)
where:
Base-Base interactions energy: -19.633
where: short stacking energy: -14.386
Base-Backbone interact. energy: -0.004
local terms energy: -26.805506
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -5.939
flat angles C4'-P-C4' energy: -6.989
flat angles P-C4'-P energy: -1.363
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: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -107.128347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.128347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.128347 (E_RNA)
where:
Base-Base interactions energy: -70.586
where: short stacking energy: -29.354
Base-Backbone interact. energy: -0.002
local terms energy: -36.541084
where:
bonds (distance) C4'-P energy: -7.211
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -7.788
flat angles P-C4'-P energy: -4.935
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -108.970449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.970449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.970449 (E_RNA)
where:
Base-Base interactions energy: -72.467
where: short stacking energy: -29.772
Base-Backbone interact. energy: -1.292
local terms energy: -35.211150
where:
bonds (distance) C4'-P energy: -6.479
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -5.642
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -106.712941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.712941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.712941 (E_RNA)
where:
Base-Base interactions energy: -67.743
where: short stacking energy: -27.280
Base-Backbone interact. energy: -0.344
local terms energy: -38.625976
where:
bonds (distance) C4'-P energy: -7.488
bonds (distance) P-C4' energy: -8.280
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: -9.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -104.877393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.877393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.877393 (E_RNA)
where:
Base-Base interactions energy: -75.186
where: short stacking energy: -30.106
Base-Backbone interact. energy: -0.456
local terms energy: -29.234533
where:
bonds (distance) C4'-P energy: -3.503
bonds (distance) P-C4' energy: -7.579
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -102.802698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.802698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.802698 (E_RNA)
where:
Base-Base interactions energy: -63.717
where: short stacking energy: -25.942
Base-Backbone interact. energy: -0.044
local terms energy: -39.041258
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -8.514
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -8.870
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: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -47.355012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.355012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.355012 (E_RNA)
where:
Base-Base interactions energy: -17.398
where: short stacking energy: -16.958
Base-Backbone interact. energy: -0.032
local terms energy: -29.924281
where:
bonds (distance) C4'-P energy: -7.199
bonds (distance) P-C4' energy: -7.034
flat angles C4'-P-C4' energy: -8.718
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: 0.240
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: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -101.699927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.699927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.699927 (E_RNA)
where:
Base-Base interactions energy: -66.524
where: short stacking energy: -27.488
Base-Backbone interact. energy: -0.321
local terms energy: -34.855710
where:
bonds (distance) C4'-P energy: -8.032
bonds (distance) P-C4' energy: -6.699
flat angles C4'-P-C4' energy: -7.439
flat angles P-C4'-P energy: -3.569
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -52.208947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.208947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.208947 (E_RNA)
where:
Base-Base interactions energy: -24.183
where: short stacking energy: -10.594
Base-Backbone interact. energy: -0.002
local terms energy: -28.023137
where:
bonds (distance) C4'-P energy: -7.178
bonds (distance) P-C4' energy: -9.063
flat angles C4'-P-C4' energy: -8.825
flat angles P-C4'-P energy: -2.554
tors. eta vs tors. theta energy: -0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -50.445586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.445586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.445586 (E_RNA)
where:
Base-Base interactions energy: -21.548
where: short stacking energy: -21.548
Base-Backbone interact. energy: -0.000
local terms energy: -28.897378
where:
bonds (distance) C4'-P energy: -7.145
bonds (distance) P-C4' energy: -4.827
flat angles C4'-P-C4' energy: -6.497
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -71.878022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.878022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.878022 (E_RNA)
where:
Base-Base interactions energy: -53.745
where: short stacking energy: -23.572
Base-Backbone interact. energy: -0.054
local terms energy: -18.078375
where:
bonds (distance) C4'-P energy: -4.446
bonds (distance) P-C4' energy: -1.388
flat angles C4'-P-C4' energy: -0.149
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -106.309138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.309138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.309138 (E_RNA)
where:
Base-Base interactions energy: -67.452
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.300
local terms energy: -38.556640
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -8.545
flat angles C4'-P-C4' energy: -7.032
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -108.546595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.546595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.546595 (E_RNA)
where:
Base-Base interactions energy: -70.753
where: short stacking energy: -31.188
Base-Backbone interact. energy: -0.913
local terms energy: -36.880976
where:
bonds (distance) C4'-P energy: -6.929
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -8.423
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -106.002548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.002548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.002548 (E_RNA)
where:
Base-Base interactions energy: -70.459
where: short stacking energy: -30.500
Base-Backbone interact. energy: -0.027
local terms energy: -35.516821
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -6.212
flat angles P-C4'-P energy: -3.965
tors. eta vs tors. theta energy: -7.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -101.281571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.281571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.281571 (E_RNA)
where:
Base-Base interactions energy: -65.286
where: short stacking energy: -26.743
Base-Backbone interact. energy: -1.151
local terms energy: -34.844188
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -7.780
flat angles C4'-P-C4' energy: -7.756
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -66.487398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.487398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.487398 (E_RNA)
where:
Base-Base interactions energy: -29.825
where: short stacking energy: -26.140
Base-Backbone interact. energy: -0.000
local terms energy: -36.662731
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -7.349
flat angles P-C4'-P energy: -3.228
tors. eta vs tors. theta energy: -8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -86.324799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.324799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.324799 (E_RNA)
where:
Base-Base interactions energy: -55.565
where: short stacking energy: -24.734
Base-Backbone interact. energy: -0.009
local terms energy: -30.750390
where:
bonds (distance) C4'-P energy: -4.890
bonds (distance) P-C4' energy: -7.361
flat angles C4'-P-C4' energy: -7.051
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -98.290479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.290479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.290479 (E_RNA)
where:
Base-Base interactions energy: -66.004
where: short stacking energy: -28.160
Base-Backbone interact. energy: -0.871
local terms energy: -31.415851
where:
bonds (distance) C4'-P energy: -7.704
bonds (distance) P-C4' energy: -7.750
flat angles C4'-P-C4' energy: -7.624
flat angles P-C4'-P energy: -2.950
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -71.984703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.984703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.984703 (E_RNA)
where:
Base-Base interactions energy: -44.901
where: short stacking energy: -19.930
Base-Backbone interact. energy: -0.013
local terms energy: -27.070236
where:
bonds (distance) C4'-P energy: -6.611
bonds (distance) P-C4' energy: -4.775
flat angles C4'-P-C4' energy: -6.221
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -49.685688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.685688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.685688 (E_RNA)
where:
Base-Base interactions energy: -19.642
where: short stacking energy: -19.642
Base-Backbone interact. energy: -0.000
local terms energy: -30.043832
where:
bonds (distance) C4'-P energy: -7.604
bonds (distance) P-C4' energy: -6.956
flat angles C4'-P-C4' energy: -5.440
flat angles P-C4'-P energy: -5.031
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: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -45.465560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.465560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.465560 (E_RNA)
where:
Base-Base interactions energy: -19.494
where: short stacking energy: -14.796
Base-Backbone interact. energy: 0.115
local terms energy: -26.086202
where:
bonds (distance) C4'-P energy: -5.651
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -7.253
flat angles P-C4'-P energy: -2.412
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -107.834887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.834887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.834887 (E_RNA)
where:
Base-Base interactions energy: -72.244
where: short stacking energy: -24.817
Base-Backbone interact. energy: -1.060
local terms energy: -34.530612
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -6.001
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -106.037623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.037623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.037623 (E_RNA)
where:
Base-Base interactions energy: -66.689
where: short stacking energy: -28.822
Base-Backbone interact. energy: -0.001
local terms energy: -39.348070
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -8.566
flat angles C4'-P-C4' energy: -8.174
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -110.314182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.314182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.314182 (E_RNA)
where:
Base-Base interactions energy: -69.717
where: short stacking energy: -28.874
Base-Backbone interact. energy: -1.515
local terms energy: -39.081991
where:
bonds (distance) C4'-P energy: -7.679
bonds (distance) P-C4' energy: -8.017
flat angles C4'-P-C4' energy: -9.183
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -6.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -99.579067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.579067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.579067 (E_RNA)
where:
Base-Base interactions energy: -64.891
where: short stacking energy: -26.332
Base-Backbone interact. energy: -0.254
local terms energy: -34.433974
where:
bonds (distance) C4'-P energy: -6.947
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -7.099
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -52.274517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.274517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.274517 (E_RNA)
where:
Base-Base interactions energy: -24.129
where: short stacking energy: -11.124
Base-Backbone interact. energy: -0.114
local terms energy: -28.030716
where:
bonds (distance) C4'-P energy: -7.782
bonds (distance) P-C4' energy: -8.898
flat angles C4'-P-C4' energy: -7.300
flat angles P-C4'-P energy: -3.749
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: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -94.736716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.736716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.736716 (E_RNA)
where:
Base-Base interactions energy: -62.312
where: short stacking energy: -30.423
Base-Backbone interact. energy: -0.687
local terms energy: -31.737037
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -5.055
flat angles C4'-P-C4' energy: -4.884
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -9.392
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: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -51.268767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.268767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.268767 (E_RNA)
where:
Base-Base interactions energy: -17.856
where: short stacking energy: -17.856
Base-Backbone interact. energy: -0.001
local terms energy: -33.412151
where:
bonds (distance) C4'-P energy: -6.756
bonds (distance) P-C4' energy: -8.271
flat angles C4'-P-C4' energy: -7.920
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -45.840360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.840360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.840360 (E_RNA)
where:
Base-Base interactions energy: -20.236
where: short stacking energy: -15.979
Base-Backbone interact. energy: 0.082
local terms energy: -25.686266
where:
bonds (distance) C4'-P energy: -4.073
bonds (distance) P-C4' energy: -8.594
flat angles C4'-P-C4' energy: -5.817
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -48.954853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.954853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.954853 (E_RNA)
where:
Base-Base interactions energy: -19.674
where: short stacking energy: -19.674
Base-Backbone interact. energy: -0.000
local terms energy: -29.281145
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -8.017
flat angles C4'-P-C4' energy: -5.919
flat angles P-C4'-P energy: -2.092
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: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -49.211256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.211256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.211256 (E_RNA)
where:
Base-Base interactions energy: -27.750
where: short stacking energy: -13.335
Base-Backbone interact. energy: -0.276
local terms energy: -21.185530
where:
bonds (distance) C4'-P energy: -5.369
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -5.873
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: 2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -104.077905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.077905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.077905 (E_RNA)
where:
Base-Base interactions energy: -65.366
where: short stacking energy: -23.248
Base-Backbone interact. energy: -1.296
local terms energy: -37.416169
where:
bonds (distance) C4'-P energy: -7.774
bonds (distance) P-C4' energy: -8.153
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -7.300
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: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -105.989059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.989059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.989059 (E_RNA)
where:
Base-Base interactions energy: -72.486
where: short stacking energy: -30.283
Base-Backbone interact. energy: -0.307
local terms energy: -33.195931
where:
bonds (distance) C4'-P energy: -6.781
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -5.434
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -104.274188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.274188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.274188 (E_RNA)
where:
Base-Base interactions energy: -68.994
where: short stacking energy: -28.128
Base-Backbone interact. energy: -0.001
local terms energy: -35.279603
where:
bonds (distance) C4'-P energy: -7.828
bonds (distance) P-C4' energy: -8.837
flat angles C4'-P-C4' energy: -6.885
flat angles P-C4'-P energy: -3.915
tors. eta vs tors. theta energy: -7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -102.444751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.444751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.444751 (E_RNA)
where:
Base-Base interactions energy: -68.661
where: short stacking energy: -27.816
Base-Backbone interact. energy: -0.007
local terms energy: -33.776910
where:
bonds (distance) C4'-P energy: -5.841
bonds (distance) P-C4' energy: -8.348
flat angles C4'-P-C4' energy: -7.159
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -6.015
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: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -97.220131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.220131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.220131 (E_RNA)
where:
Base-Base interactions energy: -61.870
where: short stacking energy: -22.119
Base-Backbone interact. energy: -1.379
local terms energy: -33.970554
where:
bonds (distance) C4'-P energy: -6.202
bonds (distance) P-C4' energy: -7.587
flat angles C4'-P-C4' energy: -7.029
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -6.698
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: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -55.341066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.341066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.341066 (E_RNA)
where:
Base-Base interactions energy: -21.793
where: short stacking energy: -21.793
Base-Backbone interact. energy: -0.008
local terms energy: -33.540439
where:
bonds (distance) C4'-P energy: -6.717
bonds (distance) P-C4' energy: -7.720
flat angles C4'-P-C4' energy: -7.866
flat angles P-C4'-P energy: -5.667
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: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -46.524311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.524311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.524311 (E_RNA)
where:
Base-Base interactions energy: -18.693
where: short stacking energy: -17.256
Base-Backbone interact. energy: -0.001
local terms energy: -27.830448
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -7.122
flat angles C4'-P-C4' energy: -7.579
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -80.969162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.969162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.969162 (E_RNA)
where:
Base-Base interactions energy: -54.892
where: short stacking energy: -23.070
Base-Backbone interact. energy: -0.023
local terms energy: -26.054715
where:
bonds (distance) C4'-P energy: -6.557
bonds (distance) P-C4' energy: -7.527
flat angles C4'-P-C4' energy: -7.021
flat angles P-C4'-P energy: -3.443
tors. eta vs tors. theta energy: -1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -57.408803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.408803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.408803 (E_RNA)
where:
Base-Base interactions energy: -23.430
where: short stacking energy: -21.059
Base-Backbone interact. energy: -0.004
local terms energy: -33.974380
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -8.870
flat angles C4'-P-C4' energy: -6.650
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -48.939298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.939298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.939298 (E_RNA)
where:
Base-Base interactions energy: -23.427
where: short stacking energy: -23.427
Base-Backbone interact. energy: -0.003
local terms energy: -25.508689
where:
bonds (distance) C4'-P energy: -7.427
bonds (distance) P-C4' energy: -8.193
flat angles C4'-P-C4' energy: -4.260
flat angles P-C4'-P energy: -2.188
tors. eta vs tors. theta energy: -3.442
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: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -108.720254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.720254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.720254 (E_RNA)
where:
Base-Base interactions energy: -68.315
where: short stacking energy: -29.223
Base-Backbone interact. energy: 0.387
local terms energy: -40.792132
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -6.293
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -9.292
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: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -105.880907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.880907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.880907 (E_RNA)
where:
Base-Base interactions energy: -70.000
where: short stacking energy: -26.297
Base-Backbone interact. energy: 0.114
local terms energy: -35.994885
where:
bonds (distance) C4'-P energy: -7.943
bonds (distance) P-C4' energy: -9.063
flat angles C4'-P-C4' energy: -8.324
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -102.135448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.135448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.135448 (E_RNA)
where:
Base-Base interactions energy: -66.266
where: short stacking energy: -27.516
Base-Backbone interact. energy: -0.055
local terms energy: -35.814469
where:
bonds (distance) C4'-P energy: -8.325
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -7.847
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -7.491
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: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -101.359464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.359464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.359464 (E_RNA)
where:
Base-Base interactions energy: -66.546
where: short stacking energy: -24.855
Base-Backbone interact. energy: -0.151
local terms energy: -34.662498
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -7.745
flat angles C4'-P-C4' energy: -7.396
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -99.753600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.753600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.753600 (E_RNA)
where:
Base-Base interactions energy: -67.121
where: short stacking energy: -28.909
Base-Backbone interact. energy: -0.124
local terms energy: -32.508441
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -6.328
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -3.163
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: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -53.226194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.226194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.226194 (E_RNA)
where:
Base-Base interactions energy: -22.464
where: short stacking energy: -21.723
Base-Backbone interact. energy: -0.014
local terms energy: -30.749019
where:
bonds (distance) C4'-P energy: -6.921
bonds (distance) P-C4' energy: -7.295
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -61.971993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.971993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.971993 (E_RNA)
where:
Base-Base interactions energy: -29.770
where: short stacking energy: -29.770
Base-Backbone interact. energy: -0.000
local terms energy: -32.202192
where:
bonds (distance) C4'-P energy: -4.678
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -7.142
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -7.266
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: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -47.832432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.832432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.832432 (E_RNA)
where:
Base-Base interactions energy: -23.492
where: short stacking energy: -21.588
Base-Backbone interact. energy: -0.024
local terms energy: -24.315789
where:
bonds (distance) C4'-P energy: -4.644
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -4.395
flat angles P-C4'-P energy: -2.647
tors. eta vs tors. theta energy: -3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -84.414130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.414130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.414130 (E_RNA)
where:
Base-Base interactions energy: -55.375
where: short stacking energy: -25.290
Base-Backbone interact. energy: -0.025
local terms energy: -29.014531
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -7.781
flat angles C4'-P-C4' energy: -5.875
flat angles P-C4'-P energy: -2.002
tors. eta vs tors. theta energy: -5.208
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: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -55.702930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.702930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.702930 (E_RNA)
where:
Base-Base interactions energy: -23.638
where: short stacking energy: -23.638
Base-Backbone interact. energy: -0.052
local terms energy: -32.013077
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -7.389
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -109.547775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.547775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.547775 (E_RNA)
where:
Base-Base interactions energy: -69.935
where: short stacking energy: -28.413
Base-Backbone interact. energy: -1.588
local terms energy: -38.025037
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -8.401
flat angles C4'-P-C4' energy: -7.049
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -107.921758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.921758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.921758 (E_RNA)
where:
Base-Base interactions energy: -69.248
where: short stacking energy: -30.433
Base-Backbone interact. energy: -1.369
local terms energy: -37.305007
where:
bonds (distance) C4'-P energy: -8.581
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -7.447
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -104.976709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.976709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.976709 (E_RNA)
where:
Base-Base interactions energy: -69.697
where: short stacking energy: -24.780
Base-Backbone interact. energy: -0.021
local terms energy: -35.259110
where:
bonds (distance) C4'-P energy: -9.020
bonds (distance) P-C4' energy: -7.988
flat angles C4'-P-C4' energy: -6.383
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -102.415973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.415973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.415973 (E_RNA)
where:
Base-Base interactions energy: -65.375
where: short stacking energy: -27.576
Base-Backbone interact. energy: -0.966
local terms energy: -36.075457
where:
bonds (distance) C4'-P energy: -6.921
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -7.728
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -102.445433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.445433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.445433 (E_RNA)
where:
Base-Base interactions energy: -67.027
where: short stacking energy: -30.583
Base-Backbone interact. energy: -0.002
local terms energy: -35.416213
where:
bonds (distance) C4'-P energy: -8.139
bonds (distance) P-C4' energy: -9.124
flat angles C4'-P-C4' energy: -8.389
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -49.403602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.403602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.403602 (E_RNA)
where:
Base-Base interactions energy: -23.924
where: short stacking energy: -23.924
Base-Backbone interact. energy: -0.000
local terms energy: -25.479339
where:
bonds (distance) C4'-P energy: -6.955
bonds (distance) P-C4' energy: -6.361
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -3.494
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: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -47.016539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.016539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.016539 (E_RNA)
where:
Base-Base interactions energy: -19.211
where: short stacking energy: -16.516
Base-Backbone interact. energy: -0.759
local terms energy: -27.045848
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -7.658
flat angles C4'-P-C4' energy: -2.488
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -46.731483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.731483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.731483 (E_RNA)
where:
Base-Base interactions energy: -20.754
where: short stacking energy: -19.693
Base-Backbone interact. energy: -0.005
local terms energy: -25.972012
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -6.112
flat angles C4'-P-C4' energy: -5.687
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -52.156547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.156547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.156547 (E_RNA)
where:
Base-Base interactions energy: -26.441
where: short stacking energy: -14.933
Base-Backbone interact. energy: -0.720
local terms energy: -24.995807
where:
bonds (distance) C4'-P energy: -3.257
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -6.988
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -2.736
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: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -48.086889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.086889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.086889 (E_RNA)
where:
Base-Base interactions energy: -21.947
where: short stacking energy: -21.947
Base-Backbone interact. energy: -0.068
local terms energy: -26.071833
where:
bonds (distance) C4'-P energy: -6.470
bonds (distance) P-C4' energy: -7.122
flat angles C4'-P-C4' energy: -5.061
flat angles P-C4'-P energy: -3.576
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -105.953559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.953559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.953559 (E_RNA)
where:
Base-Base interactions energy: -67.184
where: short stacking energy: -26.807
Base-Backbone interact. energy: -0.636
local terms energy: -38.133771
where:
bonds (distance) C4'-P energy: -7.746
bonds (distance) P-C4' energy: -9.575
flat angles C4'-P-C4' energy: -8.359
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -105.981130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.981130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.981130 (E_RNA)
where:
Base-Base interactions energy: -70.855
where: short stacking energy: -29.454
Base-Backbone interact. energy: -0.436
local terms energy: -34.690368
where:
bonds (distance) C4'-P energy: -6.442
bonds (distance) P-C4' energy: -9.567
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -2.571
tors. eta vs tors. theta energy: -7.028
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: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -106.363453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.363453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.363453 (E_RNA)
where:
Base-Base interactions energy: -70.031
where: short stacking energy: -28.487
Base-Backbone interact. energy: -1.100
local terms energy: -35.232676
where:
bonds (distance) C4'-P energy: -5.832
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -7.704
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -86.680811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.680811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.680811 (E_RNA)
where:
Base-Base interactions energy: -57.822
where: short stacking energy: -20.136
Base-Backbone interact. energy: -0.018
local terms energy: -28.840394
where:
bonds (distance) C4'-P energy: -7.260
bonds (distance) P-C4' energy: -7.858
flat angles C4'-P-C4' energy: -3.888
flat angles P-C4'-P energy: -4.282
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: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -99.969279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.969279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.969279 (E_RNA)
where:
Base-Base interactions energy: -68.718
where: short stacking energy: -23.889
Base-Backbone interact. energy: -0.125
local terms energy: -31.125755
where:
bonds (distance) C4'-P energy: -6.619
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -1.966
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -66.813874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.813874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.813874 (E_RNA)
where:
Base-Base interactions energy: -30.734
where: short stacking energy: -27.047
Base-Backbone interact. energy: -0.000
local terms energy: -36.079313
where:
bonds (distance) C4'-P energy: -7.099
bonds (distance) P-C4' energy: -6.844
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -6.333
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: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -53.817669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.817669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.817669 (E_RNA)
where:
Base-Base interactions energy: -25.252
where: short stacking energy: -23.891
Base-Backbone interact. energy: -0.147
local terms energy: -28.418258
where:
bonds (distance) C4'-P energy: -4.231
bonds (distance) P-C4' energy: -7.720
flat angles C4'-P-C4' energy: -7.586
flat angles P-C4'-P energy: -2.900
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -56.690941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.690941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.690941 (E_RNA)
where:
Base-Base interactions energy: -25.222
where: short stacking energy: -17.731
Base-Backbone interact. energy: -0.456
local terms energy: -31.013263
where:
bonds (distance) C4'-P energy: -7.116
bonds (distance) P-C4' energy: -8.280
flat angles C4'-P-C4' energy: -7.856
flat angles P-C4'-P energy: -4.163
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -44.725059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.725059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.725059 (E_RNA)
where:
Base-Base interactions energy: -18.478
where: short stacking energy: -18.478
Base-Backbone interact. energy: 0.703
local terms energy: -26.950712
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -7.820
flat angles C4'-P-C4' energy: -6.800
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -0.896
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: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -49.322834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.322834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.322834 (E_RNA)
where:
Base-Base interactions energy: -21.947
where: short stacking energy: -21.947
Base-Backbone interact. energy: -0.072
local terms energy: -27.304274
where:
bonds (distance) C4'-P energy: -6.168
bonds (distance) P-C4' energy: -7.506
flat angles C4'-P-C4' energy: -5.129
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -107.742551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.742551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.742551 (E_RNA)
where:
Base-Base interactions energy: -69.888
where: short stacking energy: -27.229
Base-Backbone interact. energy: -1.218
local terms energy: -36.637279
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -6.166
flat angles C4'-P-C4' energy: -7.337
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -7.521
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: 86
Temperature: 0.950000
Total energy: -107.640072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.640072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.640072 (E_RNA)
where:
Base-Base interactions energy: -72.986
where: short stacking energy: -31.687
Base-Backbone interact. energy: 0.045
local terms energy: -34.698594
where:
bonds (distance) C4'-P energy: -7.286
bonds (distance) P-C4' energy: -8.812
flat angles C4'-P-C4' energy: -5.826
flat angles P-C4'-P energy: -3.382
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: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -103.433506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.433506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.433506 (E_RNA)
where:
Base-Base interactions energy: -68.045
where: short stacking energy: -28.568
Base-Backbone interact. energy: -0.874
local terms energy: -34.514667
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -4.926
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -98.311047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.311047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.311047 (E_RNA)
where:
Base-Base interactions energy: -61.302
where: short stacking energy: -23.760
Base-Backbone interact. energy: 0.066
local terms energy: -37.074888
where:
bonds (distance) C4'-P energy: -7.455
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -7.912
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -89.352787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.352787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.352787 (E_RNA)
where:
Base-Base interactions energy: -61.520
where: short stacking energy: -20.031
Base-Backbone interact. energy: -0.101
local terms energy: -27.732384
where:
bonds (distance) C4'-P energy: -4.446
bonds (distance) P-C4' energy: -7.591
flat angles C4'-P-C4' energy: -7.470
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -51.929234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.929234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.929234 (E_RNA)
where:
Base-Base interactions energy: -21.532
where: short stacking energy: -21.532
Base-Backbone interact. energy: -0.017
local terms energy: -30.380152
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.392
flat angles C4'-P-C4' energy: -6.516
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -48.799996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.799996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.799996 (E_RNA)
where:
Base-Base interactions energy: -18.846
where: short stacking energy: -18.592
Base-Backbone interact. energy: -0.000
local terms energy: -29.953639
where:
bonds (distance) C4'-P energy: -8.076
bonds (distance) P-C4' energy: -8.253
flat angles C4'-P-C4' energy: -6.121
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -47.169424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.169424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.169424 (E_RNA)
where:
Base-Base interactions energy: -17.475
where: short stacking energy: -15.647
Base-Backbone interact. energy: -0.006
local terms energy: -29.688530
where:
bonds (distance) C4'-P energy: -7.215
bonds (distance) P-C4' energy: -8.898
flat angles C4'-P-C4' energy: -8.042
flat angles P-C4'-P energy: -2.217
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: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -41.898210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.898210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.898210 (E_RNA)
where:
Base-Base interactions energy: -13.828
where: short stacking energy: -13.828
Base-Backbone interact. energy: -0.006
local terms energy: -28.064132
where:
bonds (distance) C4'-P energy: -7.716
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -5.418
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -40.063260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.063260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.063260 (E_RNA)
where:
Base-Base interactions energy: -14.533
where: short stacking energy: -9.536
Base-Backbone interact. energy: -0.087
local terms energy: -25.443402
where:
bonds (distance) C4'-P energy: -7.695
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -2.846
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -105.782768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.782768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.782768 (E_RNA)
where:
Base-Base interactions energy: -70.478
where: short stacking energy: -27.622
Base-Backbone interact. energy: 0.547
local terms energy: -35.852142
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -8.020
flat angles C4'-P-C4' energy: -8.183
flat angles P-C4'-P energy: -4.099
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -108.490495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.490495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.490495 (E_RNA)
where:
Base-Base interactions energy: -70.991
where: short stacking energy: -33.262
Base-Backbone interact. energy: -0.000
local terms energy: -37.499598
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -6.951
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -104.107108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.107108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.107108 (E_RNA)
where:
Base-Base interactions energy: -70.329
where: short stacking energy: -28.224
Base-Backbone interact. energy: -0.256
local terms energy: -33.522927
where:
bonds (distance) C4'-P energy: -7.811
bonds (distance) P-C4' energy: -8.168
flat angles C4'-P-C4' energy: -7.864
flat angles P-C4'-P energy: -2.295
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -99.231890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.231890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.231890 (E_RNA)
where:
Base-Base interactions energy: -61.068
where: short stacking energy: -24.143
Base-Backbone interact. energy: -0.630
local terms energy: -37.534308
where:
bonds (distance) C4'-P energy: -7.969
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -102.840402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.840402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.840402 (E_RNA)
where:
Base-Base interactions energy: -70.039
where: short stacking energy: -29.127
Base-Backbone interact. energy: -0.058
local terms energy: -32.744264
where:
bonds (distance) C4'-P energy: -8.441
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -3.261
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -58.868982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.868982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.868982 (E_RNA)
where:
Base-Base interactions energy: -29.485
where: short stacking energy: -29.485
Base-Backbone interact. energy: -0.003
local terms energy: -29.381689
where:
bonds (distance) C4'-P energy: -5.113
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.082
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: -7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -44.881795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.881795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.881795 (E_RNA)
where:
Base-Base interactions energy: -15.988
where: short stacking energy: -15.988
Base-Backbone interact. energy: -0.074
local terms energy: -28.819910
where:
bonds (distance) C4'-P energy: -5.729
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -52.172528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.172528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.172528 (E_RNA)
where:
Base-Base interactions energy: -23.049
where: short stacking energy: -23.049
Base-Backbone interact. energy: -0.739
local terms energy: -28.385158
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -8.504
flat angles C4'-P-C4' energy: -4.663
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -45.296447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.296447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.296447 (E_RNA)
where:
Base-Base interactions energy: -14.414
where: short stacking energy: -14.414
Base-Backbone interact. energy: -0.001
local terms energy: -30.881746
where:
bonds (distance) C4'-P energy: -7.708
bonds (distance) P-C4' energy: -8.517
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -4.207
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: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -38.842300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.842300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.842300 (E_RNA)
where:
Base-Base interactions energy: -11.493
where: short stacking energy: -6.245
Base-Backbone interact. energy: -0.060
local terms energy: -27.289534
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -7.907
flat angles C4'-P-C4' energy: -5.654
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: -1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -109.073617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.073617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.073617 (E_RNA)
where:
Base-Base interactions energy: -72.952
where: short stacking energy: -31.357
Base-Backbone interact. energy: -0.310
local terms energy: -35.811773
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -8.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -104.994213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.994213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.994213 (E_RNA)
where:
Base-Base interactions energy: -73.327
where: short stacking energy: -30.093
Base-Backbone interact. energy: -1.297
local terms energy: -30.370322
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -4.984
flat angles P-C4'-P energy: -4.341
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: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -108.208139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.208139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.208139 (E_RNA)
where:
Base-Base interactions energy: -70.561
where: short stacking energy: -30.633
Base-Backbone interact. energy: -2.249
local terms energy: -35.398077
where:
bonds (distance) C4'-P energy: -6.793
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -7.444
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -105.822483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.822483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.822483 (E_RNA)
where:
Base-Base interactions energy: -66.760
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.028
local terms energy: -39.034472
where:
bonds (distance) C4'-P energy: -8.520
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -8.089
flat angles P-C4'-P energy: -4.759
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -63.612915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.612915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.612915 (E_RNA)
where:
Base-Base interactions energy: -28.619
where: short stacking energy: -28.619
Base-Backbone interact. energy: -0.000
local terms energy: -34.993259
where:
bonds (distance) C4'-P energy: -7.712
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -8.379
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -93.023448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.023448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.023448 (E_RNA)
where:
Base-Base interactions energy: -57.948
where: short stacking energy: -23.183
Base-Backbone interact. energy: -1.246
local terms energy: -33.829312
where:
bonds (distance) C4'-P energy: -6.425
bonds (distance) P-C4' energy: -8.308
flat angles C4'-P-C4' energy: -6.903
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -51.637338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.637338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.637338 (E_RNA)
where:
Base-Base interactions energy: -20.611
where: short stacking energy: -20.611
Base-Backbone interact. energy: -0.025
local terms energy: -31.001250
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -7.872
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -46.820658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.820658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.820658 (E_RNA)
where:
Base-Base interactions energy: -16.744
where: short stacking energy: -16.744
Base-Backbone interact. energy: -0.075
local terms energy: -30.002022
where:
bonds (distance) C4'-P energy: -6.826
bonds (distance) P-C4' energy: -7.062
flat angles C4'-P-C4' energy: -8.093
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -43.844524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.844524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.844524 (E_RNA)
where:
Base-Base interactions energy: -22.272
where: short stacking energy: -21.818
Base-Backbone interact. energy: 3.608
local terms energy: -25.179953
where:
bonds (distance) C4'-P energy: -5.962
bonds (distance) P-C4' energy: -7.526
flat angles C4'-P-C4' energy: -7.755
flat angles P-C4'-P energy: -2.684
tors. eta vs tors. theta energy: -1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -52.731755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.731755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.731755 (E_RNA)
where:
Base-Base interactions energy: -22.107
where: short stacking energy: -22.107
Base-Backbone interact. energy: -0.090
local terms energy: -30.534730
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -6.242
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -107.685967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.685967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.685967 (E_RNA)
where:
Base-Base interactions energy: -70.511
where: short stacking energy: -28.358
Base-Backbone interact. energy: -0.007
local terms energy: -37.168910
where:
bonds (distance) C4'-P energy: -7.373
bonds (distance) P-C4' energy: -8.271
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -4.900
tors. eta vs tors. theta energy: -7.821
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: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -106.266302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.266302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.266302 (E_RNA)
where:
Base-Base interactions energy: -66.182
where: short stacking energy: -28.947
Base-Backbone interact. energy: -0.923
local terms energy: -39.160917
where:
bonds (distance) C4'-P energy: -8.404
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -103.219975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.219975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.219975 (E_RNA)
where:
Base-Base interactions energy: -69.948
where: short stacking energy: -28.548
Base-Backbone interact. energy: -0.561
local terms energy: -32.710553
where:
bonds (distance) C4'-P energy: -5.431
bonds (distance) P-C4' energy: -7.762
flat angles C4'-P-C4' energy: -6.913
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -99.121336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.121336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.121336 (E_RNA)
where:
Base-Base interactions energy: -63.872
where: short stacking energy: -27.811
Base-Backbone interact. energy: -0.022
local terms energy: -35.226898
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -7.739
flat angles C4'-P-C4' energy: -7.773
flat angles P-C4'-P energy: -4.226
tors. eta vs tors. theta energy: -7.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -65.428899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.428899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.428899 (E_RNA)
where:
Base-Base interactions energy: -30.173
where: short stacking energy: -25.503
Base-Backbone interact. energy: -0.000
local terms energy: -35.255623
where:
bonds (distance) C4'-P energy: -7.322
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -6.737
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -58.183761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.183761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.183761 (E_RNA)
where:
Base-Base interactions energy: -26.724
where: short stacking energy: -26.724
Base-Backbone interact. energy: -0.005
local terms energy: -31.454861
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -8.280
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -2.748
tors. eta vs tors. theta energy: -6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -91.294540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.294540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.294540 (E_RNA)
where:
Base-Base interactions energy: -63.595
where: short stacking energy: -24.754
Base-Backbone interact. energy: -0.061
local terms energy: -27.638747
where:
bonds (distance) C4'-P energy: -8.635
bonds (distance) P-C4' energy: -5.303
flat angles C4'-P-C4' energy: -4.096
flat angles P-C4'-P energy: -2.484
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: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -53.616485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.616485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.616485 (E_RNA)
where:
Base-Base interactions energy: -22.693
where: short stacking energy: -22.214
Base-Backbone interact. energy: -0.006
local terms energy: -30.917217
where:
bonds (distance) C4'-P energy: -3.089
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -8.205
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -53.072586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.072586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.072586 (E_RNA)
where:
Base-Base interactions energy: -21.914
where: short stacking energy: -16.219
Base-Backbone interact. energy: -0.038
local terms energy: -31.121223
where:
bonds (distance) C4'-P energy: -5.350
bonds (distance) P-C4' energy: -9.818
flat angles C4'-P-C4' energy: -8.637
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -41.415041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.415041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.415041 (E_RNA)
where:
Base-Base interactions energy: -15.766
where: short stacking energy: -15.130
Base-Backbone interact. energy: -0.041
local terms energy: -25.608507
where:
bonds (distance) C4'-P energy: -8.255
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -5.221
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: -2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -101.421381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.421381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.421381 (E_RNA)
where:
Base-Base interactions energy: -64.627
where: short stacking energy: -24.463
Base-Backbone interact. energy: -0.001
local terms energy: -36.792992
where:
bonds (distance) C4'-P energy: -7.952
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -5.951
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -106.321043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.321043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.321043 (E_RNA)
where:
Base-Base interactions energy: -68.513
where: short stacking energy: -28.598
Base-Backbone interact. energy: -0.718
local terms energy: -37.089829
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -7.501
flat angles C4'-P-C4' energy: -7.923
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -8.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -104.067719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.067719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.067719 (E_RNA)
where:
Base-Base interactions energy: -68.305
where: short stacking energy: -26.969
Base-Backbone interact. energy: -1.251
local terms energy: -34.511929
where:
bonds (distance) C4'-P energy: -5.909
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -7.281
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -108.075780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.075780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.075780 (E_RNA)
where:
Base-Base interactions energy: -68.009
where: short stacking energy: -30.343
Base-Backbone interact. energy: -1.373
local terms energy: -38.693030
where:
bonds (distance) C4'-P energy: -7.103
bonds (distance) P-C4' energy: -7.910
flat angles C4'-P-C4' energy: -7.976
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -56.559310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.559310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.559310 (E_RNA)
where:
Base-Base interactions energy: -20.826
where: short stacking energy: -20.826
Base-Backbone interact. energy: -0.000
local terms energy: -35.733116
where:
bonds (distance) C4'-P energy: -7.028
bonds (distance) P-C4' energy: -8.870
flat angles C4'-P-C4' energy: -8.069
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -50.702420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.702420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.702420 (E_RNA)
where:
Base-Base interactions energy: -24.794
where: short stacking energy: -19.054
Base-Backbone interact. energy: -0.126
local terms energy: -25.782237
where:
bonds (distance) C4'-P energy: -7.969
bonds (distance) P-C4' energy: -5.241
flat angles C4'-P-C4' energy: -6.152
flat angles P-C4'-P energy: -5.345
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: 7, replica: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -96.530546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.530546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.530546 (E_RNA)
where:
Base-Base interactions energy: -61.105
where: short stacking energy: -23.272
Base-Backbone interact. energy: -0.551
local terms energy: -34.875219
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -9.124
flat angles C4'-P-C4' energy: -6.520
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -52.739646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.739646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.739646 (E_RNA)
where:
Base-Base interactions energy: -22.950
where: short stacking energy: -22.950
Base-Backbone interact. energy: -0.000
local terms energy: -29.789497
where:
bonds (distance) C4'-P energy: -3.391
bonds (distance) P-C4' energy: -8.020
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -4.542
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: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -52.171346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.171346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.171346 (E_RNA)
where:
Base-Base interactions energy: -20.671
where: short stacking energy: -20.671
Base-Backbone interact. energy: -0.025
local terms energy: -31.475527
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -5.703
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -46.956365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.956365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.956365 (E_RNA)
where:
Base-Base interactions energy: -20.272
where: short stacking energy: -20.272
Base-Backbone interact. energy: -0.061
local terms energy: -26.623804
where:
bonds (distance) C4'-P energy: -4.892
bonds (distance) P-C4' energy: -4.615
flat angles C4'-P-C4' energy: -3.731
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -7.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -101.582482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.582482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.582482 (E_RNA)
where:
Base-Base interactions energy: -65.064
where: short stacking energy: -24.428
Base-Backbone interact. energy: -2.417
local terms energy: -34.101050
where:
bonds (distance) C4'-P energy: -6.301
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -7.400
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -105.161934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.161934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.161934 (E_RNA)
where:
Base-Base interactions energy: -70.082
where: short stacking energy: -28.142
Base-Backbone interact. energy: -1.131
local terms energy: -33.948990
where:
bonds (distance) C4'-P energy: -7.186
bonds (distance) P-C4' energy: -8.870
flat angles C4'-P-C4' energy: -5.521
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -106.248506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.248506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.248506 (E_RNA)
where:
Base-Base interactions energy: -69.498
where: short stacking energy: -30.737
Base-Backbone interact. energy: -0.356
local terms energy: -36.394590
where:
bonds (distance) C4'-P energy: -7.518
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -6.518
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -8.344
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: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -59.265886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.265886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.265886 (E_RNA)
where:
Base-Base interactions energy: -28.396
where: short stacking energy: -28.396
Base-Backbone interact. energy: -0.010
local terms energy: -30.860616
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -5.226
flat angles P-C4'-P energy: -5.384
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: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -98.867433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.867433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.867433 (E_RNA)
where:
Base-Base interactions energy: -64.349
where: short stacking energy: -28.717
Base-Backbone interact. energy: -0.001
local terms energy: -34.517460
where:
bonds (distance) C4'-P energy: -6.815
bonds (distance) P-C4' energy: -7.584
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -5.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -96.564791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.564791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.564791 (E_RNA)
where:
Base-Base interactions energy: -65.455
where: short stacking energy: -26.575
Base-Backbone interact. energy: -0.031
local terms energy: -31.079624
where:
bonds (distance) C4'-P energy: -7.604
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -4.560
flat angles P-C4'-P energy: -4.420
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -57.094612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.094612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.094612 (E_RNA)
where:
Base-Base interactions energy: -26.230
where: short stacking energy: -26.230
Base-Backbone interact. energy: -0.000
local terms energy: -30.864413
where:
bonds (distance) C4'-P energy: -5.468
bonds (distance) P-C4' energy: -7.854
flat angles C4'-P-C4' energy: -5.995
flat angles P-C4'-P energy: -3.080
tors. eta vs tors. theta energy: -8.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -50.001305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.001305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.001305 (E_RNA)
where:
Base-Base interactions energy: -21.523
where: short stacking energy: -14.376
Base-Backbone interact. energy: -0.004
local terms energy: -28.474206
where:
bonds (distance) C4'-P energy: -7.960
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -4.292
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -3.012
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: 91
Temperature: 1.300000
Total energy: -44.752658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.752658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.752658 (E_RNA)
where:
Base-Base interactions energy: -15.833
where: short stacking energy: -15.833
Base-Backbone interact. energy: -0.021
local terms energy: -28.898971
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -9.124
flat angles C4'-P-C4' energy: -5.749
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -1.536
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: 91
Temperature: 1.350000
Total energy: -44.565775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.565775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.565775 (E_RNA)
where:
Base-Base interactions energy: -17.614
where: short stacking energy: -17.614
Base-Backbone interact. energy: -0.058
local terms energy: -26.893236
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -4.032
flat angles C4'-P-C4' energy: -6.825
flat angles P-C4'-P energy: -2.770
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: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -109.709631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.709631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.709631 (E_RNA)
where:
Base-Base interactions energy: -76.394
where: short stacking energy: -31.675
Base-Backbone interact. energy: -1.272
local terms energy: -32.043233
where:
bonds (distance) C4'-P energy: -6.429
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -5.882
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -104.416429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.416429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.416429 (E_RNA)
where:
Base-Base interactions energy: -70.936
where: short stacking energy: -24.262
Base-Backbone interact. energy: -0.348
local terms energy: -33.132813
where:
bonds (distance) C4'-P energy: -6.263
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -107.456045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.456045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.456045 (E_RNA)
where:
Base-Base interactions energy: -70.900
where: short stacking energy: -31.946
Base-Backbone interact. energy: -0.122
local terms energy: -36.434121
where:
bonds (distance) C4'-P energy: -7.844
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -7.248
flat angles P-C4'-P energy: -4.901
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: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -65.394584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.394584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.394584 (E_RNA)
where:
Base-Base interactions energy: -24.062
where: short stacking energy: -24.062
Base-Backbone interact. energy: -0.000
local terms energy: -41.332710
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -6.963
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: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -92.969121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.969121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.969121 (E_RNA)
where:
Base-Base interactions energy: -63.323
where: short stacking energy: -24.497
Base-Backbone interact. energy: -0.387
local terms energy: -29.259443
where:
bonds (distance) C4'-P energy: -7.820
bonds (distance) P-C4' energy: -7.587
flat angles C4'-P-C4' energy: -5.109
flat angles P-C4'-P energy: -2.480
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -97.912741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.912741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.912741 (E_RNA)
where:
Base-Base interactions energy: -61.837
where: short stacking energy: -20.336
Base-Backbone interact. energy: -0.009
local terms energy: -36.066647
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -8.126
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -56.597309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.597309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.597309 (E_RNA)
where:
Base-Base interactions energy: -23.618
where: short stacking energy: -23.618
Base-Backbone interact. energy: -0.000
local terms energy: -32.978525
where:
bonds (distance) C4'-P energy: -6.852
bonds (distance) P-C4' energy: -5.272
flat angles C4'-P-C4' energy: -7.617
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -6.583
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: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -50.701527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.701527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.701527 (E_RNA)
where:
Base-Base interactions energy: -20.300
where: short stacking energy: -20.300
Base-Backbone interact. energy: -0.000
local terms energy: -30.400972
where:
bonds (distance) C4'-P energy: -5.778
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -4.550
flat angles P-C4'-P energy: -5.595
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: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -47.853157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.853157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.853157 (E_RNA)
where:
Base-Base interactions energy: -22.634
where: short stacking energy: -22.634
Base-Backbone interact. energy: -0.002
local terms energy: -25.217352
where:
bonds (distance) C4'-P energy: -5.153
bonds (distance) P-C4' energy: -4.665
flat angles C4'-P-C4' energy: -6.874
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -4.883
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: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -47.677058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.677058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.677058 (E_RNA)
where:
Base-Base interactions energy: -15.599
where: short stacking energy: -15.599
Base-Backbone interact. energy: -0.005
local terms energy: -32.072303
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -7.584
flat angles C4'-P-C4' energy: -8.605
flat angles P-C4'-P energy: -3.990
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -105.699284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.699284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.699284 (E_RNA)
where:
Base-Base interactions energy: -71.208
where: short stacking energy: -31.598
Base-Backbone interact. energy: -0.183
local terms energy: -34.308004
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -5.673
flat angles P-C4'-P energy: -2.999
tors. eta vs tors. theta energy: -8.661
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: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -107.244214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.244214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.244214 (E_RNA)
where:
Base-Base interactions energy: -71.649
where: short stacking energy: -28.151
Base-Backbone interact. energy: -0.055
local terms energy: -35.539955
where:
bonds (distance) C4'-P energy: -6.583
bonds (distance) P-C4' energy: -7.392
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -102.782717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.782717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.782717 (E_RNA)
where:
Base-Base interactions energy: -64.873
where: short stacking energy: -27.876
Base-Backbone interact. energy: -0.352
local terms energy: -37.557454
where:
bonds (distance) C4'-P energy: -5.945
bonds (distance) P-C4' energy: -9.818
flat angles C4'-P-C4' energy: -7.134
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -9.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -97.979953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.979953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.979953 (E_RNA)
where:
Base-Base interactions energy: -64.416
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.000
local terms energy: -33.563580
where:
bonds (distance) C4'-P energy: -7.356
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -6.516
flat angles P-C4'-P energy: -4.143
tors. eta vs tors. theta energy: -6.648
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: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -53.341548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.341548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.341548 (E_RNA)
where:
Base-Base interactions energy: -26.466
where: short stacking energy: -26.466
Base-Backbone interact. energy: -0.087
local terms energy: -26.788531
where:
bonds (distance) C4'-P energy: -4.003
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -2.576
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -5.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -95.568699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.568699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.568699 (E_RNA)
where:
Base-Base interactions energy: -61.349
where: short stacking energy: -24.617
Base-Backbone interact. energy: -0.851
local terms energy: -33.369026
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -7.364
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -6.298
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: 93
Temperature: 1.200000
Total energy: -48.541616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.541616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.541616 (E_RNA)
where:
Base-Base interactions energy: -24.680
where: short stacking energy: -11.014
Base-Backbone interact. energy: -0.050
local terms energy: -23.811367
where:
bonds (distance) C4'-P energy: -7.700
bonds (distance) P-C4' energy: -4.888
flat angles C4'-P-C4' energy: -5.476
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -45.627174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.627174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.627174 (E_RNA)
where:
Base-Base interactions energy: -21.874
where: short stacking energy: -21.874
Base-Backbone interact. energy: -0.042
local terms energy: -23.711138
where:
bonds (distance) C4'-P energy: -6.781
bonds (distance) P-C4' energy: -8.045
flat angles C4'-P-C4' energy: -1.663
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: -2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -51.142474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.142474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.142474 (E_RNA)
where:
Base-Base interactions energy: -24.963
where: short stacking energy: -16.928
Base-Backbone interact. energy: -0.147
local terms energy: -26.032532
where:
bonds (distance) C4'-P energy: -4.313
bonds (distance) P-C4' energy: -7.572
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -3.076
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -46.662958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.662958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.662958 (E_RNA)
where:
Base-Base interactions energy: -20.391
where: short stacking energy: -20.391
Base-Backbone interact. energy: -0.521
local terms energy: -25.750916
where:
bonds (distance) C4'-P energy: -4.524
bonds (distance) P-C4' energy: -7.100
flat angles C4'-P-C4' energy: -6.069
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -2.962
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: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -112.289799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.289799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.289799 (E_RNA)
where:
Base-Base interactions energy: -71.547
where: short stacking energy: -28.339
Base-Backbone interact. energy: -1.973
local terms energy: -38.769325
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -7.205
flat angles C4'-P-C4' energy: -8.534
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -107.841044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.841044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.841044 (E_RNA)
where:
Base-Base interactions energy: -72.575
where: short stacking energy: -35.475
Base-Backbone interact. energy: -0.000
local terms energy: -35.265784
where:
bonds (distance) C4'-P energy: -6.433
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -6.106
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -106.451471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.451471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.451471 (E_RNA)
where:
Base-Base interactions energy: -70.419
where: short stacking energy: -33.055
Base-Backbone interact. energy: -0.003
local terms energy: -36.029875
where:
bonds (distance) C4'-P energy: -6.885
bonds (distance) P-C4' energy: -7.858
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -7.636
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: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -100.877523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.877523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.877523 (E_RNA)
where:
Base-Base interactions energy: -65.218
where: short stacking energy: -26.400
Base-Backbone interact. energy: -0.011
local terms energy: -35.649169
where:
bonds (distance) C4'-P energy: -6.939
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -6.768
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -93.616015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.616015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.616015 (E_RNA)
where:
Base-Base interactions energy: -61.267
where: short stacking energy: -24.832
Base-Backbone interact. energy: -0.082
local terms energy: -32.266867
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -7.975
flat angles C4'-P-C4' energy: -6.466
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -55.919437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.919437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.919437 (E_RNA)
where:
Base-Base interactions energy: -27.333
where: short stacking energy: -27.333
Base-Backbone interact. energy: -0.000
local terms energy: -28.585945
where:
bonds (distance) C4'-P energy: -6.371
bonds (distance) P-C4' energy: -6.941
flat angles C4'-P-C4' energy: -7.446
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -48.930067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.930067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.930067 (E_RNA)
where:
Base-Base interactions energy: -16.704
where: short stacking energy: -16.704
Base-Backbone interact. energy: -0.024
local terms energy: -32.201995
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -7.720
flat angles C4'-P-C4' energy: -5.414
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -3.997
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: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -45.737326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.737326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.737326 (E_RNA)
where:
Base-Base interactions energy: -21.512
where: short stacking energy: -21.512
Base-Backbone interact. energy: -0.049
local terms energy: -24.176222
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -4.100
flat angles C4'-P-C4' energy: -6.028
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -4.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -51.340268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.340268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.340268 (E_RNA)
where:
Base-Base interactions energy: -21.569
where: short stacking energy: -21.569
Base-Backbone interact. energy: -0.265
local terms energy: -29.505756
where:
bonds (distance) C4'-P energy: -6.924
bonds (distance) P-C4' energy: -7.312
flat angles C4'-P-C4' energy: -4.735
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -45.177636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.177636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.177636 (E_RNA)
where:
Base-Base interactions energy: -17.847
where: short stacking energy: -17.847
Base-Backbone interact. energy: -0.002
local terms energy: -27.328919
where:
bonds (distance) C4'-P energy: -4.429
bonds (distance) P-C4' energy: -7.812
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -2.152
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -105.902334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.902334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.902334 (E_RNA)
where:
Base-Base interactions energy: -71.819
where: short stacking energy: -28.328
Base-Backbone interact. energy: -1.343
local terms energy: -32.740607
where:
bonds (distance) C4'-P energy: -7.906
bonds (distance) P-C4' energy: -6.674
flat angles C4'-P-C4' energy: -5.822
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -106.836919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.836919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.836919 (E_RNA)
where:
Base-Base interactions energy: -71.773
where: short stacking energy: -28.152
Base-Backbone interact. energy: -0.492
local terms energy: -34.571674
where:
bonds (distance) C4'-P energy: -7.738
bonds (distance) P-C4' energy: -8.175
flat angles C4'-P-C4' energy: -8.108
flat angles P-C4'-P energy: -4.048
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -104.789584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.789584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.789584 (E_RNA)
where:
Base-Base interactions energy: -64.784
where: short stacking energy: -26.140
Base-Backbone interact. energy: -0.693
local terms energy: -39.312176
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -8.568
flat angles P-C4'-P energy: -6.371
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: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -102.405123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.405123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.405123 (E_RNA)
where:
Base-Base interactions energy: -68.211
where: short stacking energy: -26.253
Base-Backbone interact. energy: -0.255
local terms energy: -33.939552
where:
bonds (distance) C4'-P energy: -7.542
bonds (distance) P-C4' energy: -8.278
flat angles C4'-P-C4' energy: -5.658
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -99.696800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.696800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.696800 (E_RNA)
where:
Base-Base interactions energy: -64.487
where: short stacking energy: -25.678
Base-Backbone interact. energy: -0.719
local terms energy: -34.490506
where:
bonds (distance) C4'-P energy: -7.746
bonds (distance) P-C4' energy: -7.950
flat angles C4'-P-C4' energy: -7.204
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -51.770157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.770157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.770157 (E_RNA)
where:
Base-Base interactions energy: -21.270
where: short stacking energy: -15.872
Base-Backbone interact. energy: -0.210
local terms energy: -30.290363
where:
bonds (distance) C4'-P energy: -7.646
bonds (distance) P-C4' energy: -7.414
flat angles C4'-P-C4' energy: -6.632
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -59.970925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.970925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.970925 (E_RNA)
where:
Base-Base interactions energy: -24.366
where: short stacking energy: -24.366
Base-Backbone interact. energy: -0.000
local terms energy: -35.605056
where:
bonds (distance) C4'-P energy: -7.091
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -53.356562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.356562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.356562 (E_RNA)
where:
Base-Base interactions energy: -20.687
where: short stacking energy: -20.687
Base-Backbone interact. energy: -0.002
local terms energy: -32.667992
where:
bonds (distance) C4'-P energy: -6.842
bonds (distance) P-C4' energy: -7.757
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -4.245
tors. eta vs tors. theta energy: -6.228
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: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -58.332973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.332973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.332973 (E_RNA)
where:
Base-Base interactions energy: -32.789
where: short stacking energy: -17.728
Base-Backbone interact. energy: -0.240
local terms energy: -25.303992
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -6.257
flat angles P-C4'-P energy: -2.546
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -48.720531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.720531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.720531 (E_RNA)
where:
Base-Base interactions energy: -19.480
where: short stacking energy: -19.480
Base-Backbone interact. energy: -0.582
local terms energy: -28.657763
where:
bonds (distance) C4'-P energy: -7.298
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -5.977
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -107.608992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.608992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.608992 (E_RNA)
where:
Base-Base interactions energy: -74.767
where: short stacking energy: -30.131
Base-Backbone interact. energy: -0.913
local terms energy: -31.929342
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -7.011
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -106.830044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.830044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.830044 (E_RNA)
where:
Base-Base interactions energy: -69.538
where: short stacking energy: -27.779
Base-Backbone interact. energy: -0.499
local terms energy: -36.792875
where:
bonds (distance) C4'-P energy: -7.679
bonds (distance) P-C4' energy: -7.178
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -8.864
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: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -101.569321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.569321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.569321 (E_RNA)
where:
Base-Base interactions energy: -67.583
where: short stacking energy: -24.846
Base-Backbone interact. energy: -1.266
local terms energy: -32.719927
where:
bonds (distance) C4'-P energy: -6.281
bonds (distance) P-C4' energy: -8.093
flat angles C4'-P-C4' energy: -5.873
flat angles P-C4'-P energy: -4.569
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: 4, replica: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -106.774194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.774194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.774194 (E_RNA)
where:
Base-Base interactions energy: -67.393
where: short stacking energy: -26.362
Base-Backbone interact. energy: -1.492
local terms energy: -37.889475
where:
bonds (distance) C4'-P energy: -6.938
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -7.805
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -6.904
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: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -102.216521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.216521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.216521 (E_RNA)
where:
Base-Base interactions energy: -70.418
where: short stacking energy: -29.287
Base-Backbone interact. energy: -0.009
local terms energy: -31.790268
where:
bonds (distance) C4'-P energy: -6.184
bonds (distance) P-C4' energy: -7.122
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -3.393
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: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -53.392391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.392391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.392391 (E_RNA)
where:
Base-Base interactions energy: -21.067
where: short stacking energy: -21.067
Base-Backbone interact. energy: -0.000
local terms energy: -32.325574
where:
bonds (distance) C4'-P energy: -6.893
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -7.456
flat angles P-C4'-P energy: -3.992
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: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -51.449360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.449360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.449360 (E_RNA)
where:
Base-Base interactions energy: -17.514
where: short stacking energy: -17.514
Base-Backbone interact. energy: -0.013
local terms energy: -33.922458
where:
bonds (distance) C4'-P energy: -7.712
bonds (distance) P-C4' energy: -8.121
flat angles C4'-P-C4' energy: -7.486
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -4.632
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: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -45.400553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.400553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.400553 (E_RNA)
where:
Base-Base interactions energy: -14.126
where: short stacking energy: -14.126
Base-Backbone interact. energy: -0.000
local terms energy: -31.274857
where:
bonds (distance) C4'-P energy: -7.546
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -7.695
flat angles P-C4'-P energy: -1.448
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -46.441296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.441296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.441296 (E_RNA)
where:
Base-Base interactions energy: -20.416
where: short stacking energy: -20.416
Base-Backbone interact. energy: 2.052
local terms energy: -28.077921
where:
bonds (distance) C4'-P energy: -7.083
bonds (distance) P-C4' energy: -9.124
flat angles C4'-P-C4' energy: -2.563
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -3.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -50.864683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.864683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.864683 (E_RNA)
where:
Base-Base interactions energy: -22.423
where: short stacking energy: -13.347
Base-Backbone interact. energy: -0.106
local terms energy: -28.334924
where:
bonds (distance) C4'-P energy: -7.025
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -7.057
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -0.024
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: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -110.205774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.205774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.205774 (E_RNA)
where:
Base-Base interactions energy: -73.824
where: short stacking energy: -30.737
Base-Backbone interact. energy: -1.209
local terms energy: -35.173304
where:
bonds (distance) C4'-P energy: -8.172
bonds (distance) P-C4' energy: -7.889
flat angles C4'-P-C4' energy: -6.859
flat angles P-C4'-P energy: -4.899
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: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -107.399884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.399884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.399884 (E_RNA)
where:
Base-Base interactions energy: -72.794
where: short stacking energy: -31.836
Base-Backbone interact. energy: -0.264
local terms energy: -34.342404
where:
bonds (distance) C4'-P energy: -7.870
bonds (distance) P-C4' energy: -8.787
flat angles C4'-P-C4' energy: -7.330
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -98.129916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.129916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.129916 (E_RNA)
where:
Base-Base interactions energy: -64.917
where: short stacking energy: -25.278
Base-Backbone interact. energy: -0.329
local terms energy: -32.883567
where:
bonds (distance) C4'-P energy: -7.075
bonds (distance) P-C4' energy: -7.910
flat angles C4'-P-C4' energy: -6.647
flat angles P-C4'-P energy: -4.922
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: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -101.909044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.909044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.909044 (E_RNA)
where:
Base-Base interactions energy: -66.277
where: short stacking energy: -27.746
Base-Backbone interact. energy: -0.010
local terms energy: -35.621993
where:
bonds (distance) C4'-P energy: -8.094
bonds (distance) P-C4' energy: -8.011
flat angles C4'-P-C4' energy: -7.515
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -96.345575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.345575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.345575 (E_RNA)
where:
Base-Base interactions energy: -64.172
where: short stacking energy: -27.551
Base-Backbone interact. energy: 0.202
local terms energy: -32.375176
where:
bonds (distance) C4'-P energy: -6.263
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -7.042
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -53.310843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.310843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.310843 (E_RNA)
where:
Base-Base interactions energy: -21.354
where: short stacking energy: -21.354
Base-Backbone interact. energy: -0.001
local terms energy: -31.956316
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -8.447
flat angles C4'-P-C4' energy: -6.907
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -55.361046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.361046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.361046 (E_RNA)
where:
Base-Base interactions energy: -24.621
where: short stacking energy: -24.621
Base-Backbone interact. energy: -0.102
local terms energy: -30.638093
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.287
flat angles C4'-P-C4' energy: -7.070
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -49.444721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.444721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.444721 (E_RNA)
where:
Base-Base interactions energy: -23.879
where: short stacking energy: -18.504
Base-Backbone interact. energy: -0.003
local terms energy: -25.562661
where:
bonds (distance) C4'-P energy: -3.808
bonds (distance) P-C4' energy: -8.447
flat angles C4'-P-C4' energy: -7.949
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -53.449165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.449165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.449165 (E_RNA)
where:
Base-Base interactions energy: -21.279
where: short stacking energy: -21.279
Base-Backbone interact. energy: -0.000
local terms energy: -32.170645
where:
bonds (distance) C4'-P energy: -2.384
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -5.945
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: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -45.890951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.890951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.890951 (E_RNA)
where:
Base-Base interactions energy: -14.958
where: short stacking energy: -14.958
Base-Backbone interact. energy: -0.001
local terms energy: -30.932045
where:
bonds (distance) C4'-P energy: -7.960
bonds (distance) P-C4' energy: -8.432
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -107.969706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.969706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.969706 (E_RNA)
where:
Base-Base interactions energy: -71.726
where: short stacking energy: -26.789
Base-Backbone interact. energy: -0.136
local terms energy: -36.107416
where:
bonds (distance) C4'-P energy: -6.813
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -8.396
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -8.467
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: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -110.651183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.651183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.651183 (E_RNA)
where:
Base-Base interactions energy: -71.909
where: short stacking energy: -30.240
Base-Backbone interact. energy: -1.203
local terms energy: -37.539423
where:
bonds (distance) C4'-P energy: -8.209
bonds (distance) P-C4' energy: -8.020
flat angles C4'-P-C4' energy: -7.838
flat angles P-C4'-P energy: -5.362
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: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -108.599033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.599033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.599033 (E_RNA)
where:
Base-Base interactions energy: -70.213
where: short stacking energy: -29.553
Base-Backbone interact. energy: -1.408
local terms energy: -36.977347
where:
bonds (distance) C4'-P energy: -7.435
bonds (distance) P-C4' energy: -8.164
flat angles C4'-P-C4' energy: -6.748
flat angles P-C4'-P energy: -6.647
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: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -97.360172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.360172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.360172 (E_RNA)
where:
Base-Base interactions energy: -67.345
where: short stacking energy: -26.810
Base-Backbone interact. energy: -0.129
local terms energy: -29.886377
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -6.572
flat angles C4'-P-C4' energy: -5.649
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -56.597065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.597065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.597065 (E_RNA)
where:
Base-Base interactions energy: -24.646
where: short stacking energy: -20.048
Base-Backbone interact. energy: -0.142
local terms energy: -31.809194
where:
bonds (distance) C4'-P energy: -8.395
bonds (distance) P-C4' energy: -7.598
flat angles C4'-P-C4' energy: -7.100
flat angles P-C4'-P energy: -3.864
tors. eta vs tors. theta energy: -4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -92.466945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.466945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.466945 (E_RNA)
where:
Base-Base interactions energy: -58.628
where: short stacking energy: -24.999
Base-Backbone interact. energy: -0.812
local terms energy: -33.027641
where:
bonds (distance) C4'-P energy: -7.009
bonds (distance) P-C4' energy: -8.214
flat angles C4'-P-C4' energy: -6.492
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -6.239
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: 98
Temperature: 1.200000
Total energy: -48.643498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.643498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.643498 (E_RNA)
where:
Base-Base interactions energy: -20.192
where: short stacking energy: -12.662
Base-Backbone interact. energy: 0.444
local terms energy: -28.895899
where:
bonds (distance) C4'-P energy: -7.286
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.495
flat angles P-C4'-P energy: -5.413
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: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -56.270548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.270548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.270548 (E_RNA)
where:
Base-Base interactions energy: -23.267
where: short stacking energy: -23.267
Base-Backbone interact. energy: -0.000
local terms energy: -33.003528
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -7.271
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -45.865466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.865466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.865466 (E_RNA)
where:
Base-Base interactions energy: -24.759
where: short stacking energy: -15.831
Base-Backbone interact. energy: -0.046
local terms energy: -21.060569
where:
bonds (distance) C4'-P energy: -3.904
bonds (distance) P-C4' energy: -4.402
flat angles C4'-P-C4' energy: -7.251
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -47.100908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.100908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.100908 (E_RNA)
where:
Base-Base interactions energy: -19.990
where: short stacking energy: -10.389
Base-Backbone interact. energy: -0.116
local terms energy: -26.995107
where:
bonds (distance) C4'-P energy: -5.323
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -8.477
flat angles P-C4'-P energy: -6.855
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: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -108.526546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.526546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.526546 (E_RNA)
where:
Base-Base interactions energy: -72.015
where: short stacking energy: -30.023
Base-Backbone interact. energy: -1.803
local terms energy: -34.709063
where:
bonds (distance) C4'-P energy: -6.433
bonds (distance) P-C4' energy: -8.203
flat angles C4'-P-C4' energy: -5.687
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -108.064863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.064863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.064863 (E_RNA)
where:
Base-Base interactions energy: -72.019
where: short stacking energy: -32.549
Base-Backbone interact. energy: -0.026
local terms energy: -36.019421
where:
bonds (distance) C4'-P energy: -8.011
bonds (distance) P-C4' energy: -7.768
flat angles C4'-P-C4' energy: -5.738
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -97.261548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.261548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.261548 (E_RNA)
where:
Base-Base interactions energy: -63.891
where: short stacking energy: -27.293
Base-Backbone interact. energy: -0.629
local terms energy: -32.741749
where:
bonds (distance) C4'-P energy: -7.037
bonds (distance) P-C4' energy: -8.278
flat angles C4'-P-C4' energy: -6.707
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -105.756736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.756736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.756736 (E_RNA)
where:
Base-Base interactions energy: -73.733
where: short stacking energy: -29.218
Base-Backbone interact. energy: -0.465
local terms energy: -31.558590
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -5.945
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -65.947199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.947199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.947199 (E_RNA)
where:
Base-Base interactions energy: -32.173
where: short stacking energy: -27.667
Base-Backbone interact. energy: -0.024
local terms energy: -33.750662
where:
bonds (distance) C4'-P energy: -7.588
bonds (distance) P-C4' energy: -7.358
flat angles C4'-P-C4' energy: -8.143
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -7.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -96.050473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.050473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.050473 (E_RNA)
where:
Base-Base interactions energy: -58.341
where: short stacking energy: -24.339
Base-Backbone interact. energy: -2.223
local terms energy: -35.486201
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -7.324
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -54.097150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.097150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.097150 (E_RNA)
where:
Base-Base interactions energy: -23.289
where: short stacking energy: -23.289
Base-Backbone interact. energy: -0.000
local terms energy: -30.807882
where:
bonds (distance) C4'-P energy: -7.178
bonds (distance) P-C4' energy: -7.008
flat angles C4'-P-C4' energy: -7.843
flat angles P-C4'-P energy: -3.714
tors. eta vs tors. theta energy: -5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -54.425666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.425666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.425666 (E_RNA)
where:
Base-Base interactions energy: -23.651
where: short stacking energy: -23.651
Base-Backbone interact. energy: -0.003
local terms energy: -30.772488
where:
bonds (distance) C4'-P energy: -7.213
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -2.377
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -49.271193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.271193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.271193 (E_RNA)
where:
Base-Base interactions energy: -16.635
where: short stacking energy: -16.635
Base-Backbone interact. energy: 0.207
local terms energy: -32.843208
where:
bonds (distance) C4'-P energy: -8.164
bonds (distance) P-C4' energy: -7.358
flat angles C4'-P-C4' energy: -5.209
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -6.249
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: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -47.330499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.330499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.330499 (E_RNA)
where:
Base-Base interactions energy: -17.928
where: short stacking energy: -15.798
Base-Backbone interact. energy: 0.785
local terms energy: -30.187424
where:
bonds (distance) C4'-P energy: -6.723
bonds (distance) P-C4' energy: -8.045
flat angles C4'-P-C4' energy: -7.438
flat angles P-C4'-P energy: -4.552
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -108.104129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.104129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.104129 (E_RNA)
where:
Base-Base interactions energy: -71.185
where: short stacking energy: -27.833
Base-Backbone interact. energy: -0.001
local terms energy: -36.918769
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -6.051
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -105.913533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.913533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.913533 (E_RNA)
where:
Base-Base interactions energy: -71.298
where: short stacking energy: -30.453
Base-Backbone interact. energy: 0.069
local terms energy: -34.684946
where:
bonds (distance) C4'-P energy: -4.826
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -6.221
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -107.091737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.091737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.091737 (E_RNA)
where:
Base-Base interactions energy: -72.913
where: short stacking energy: -28.705
Base-Backbone interact. energy: -0.324
local terms energy: -33.855112
where:
bonds (distance) C4'-P energy: -8.209
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -5.321
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -7.829
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: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -100.375181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.375181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.375181 (E_RNA)
where:
Base-Base interactions energy: -69.656
where: short stacking energy: -27.166
Base-Backbone interact. energy: -0.045
local terms energy: -30.673543
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -6.399
flat angles P-C4'-P energy: -1.538
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -96.387418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.387418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.387418 (E_RNA)
where:
Base-Base interactions energy: -63.994
where: short stacking energy: -27.545
Base-Backbone interact. energy: -0.057
local terms energy: -32.335958
where:
bonds (distance) C4'-P energy: -7.695
bonds (distance) P-C4' energy: -5.575
flat angles C4'-P-C4' energy: -7.399
flat angles P-C4'-P energy: -4.821
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -48.712983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.712983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.712983 (E_RNA)
where:
Base-Base interactions energy: -17.575
where: short stacking energy: -17.575
Base-Backbone interact. energy: -0.083
local terms energy: -31.054764
where:
bonds (distance) C4'-P energy: -8.299
bonds (distance) P-C4' energy: -7.057
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -47.247967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.247967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.247967 (E_RNA)
where:
Base-Base interactions energy: -15.903
where: short stacking energy: -15.903
Base-Backbone interact. energy: -0.051
local terms energy: -31.294092
where:
bonds (distance) C4'-P energy: -6.272
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -7.726
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -1.972
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: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -50.000042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.000042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.000042 (E_RNA)
where:
Base-Base interactions energy: -20.752
where: short stacking energy: -20.752
Base-Backbone interact. energy: -0.001
local terms energy: -29.246368
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -6.713
flat angles C4'-P-C4' energy: -7.441
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -4.242
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: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -41.398133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.398133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.398133 (E_RNA)
where:
Base-Base interactions energy: -18.948
where: short stacking energy: -18.948
Base-Backbone interact. energy: -0.099
local terms energy: -22.351114
where:
bonds (distance) C4'-P energy: -6.897
bonds (distance) P-C4' energy: -6.137
flat angles C4'-P-C4' energy: -3.766
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -46.064722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.064722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.064722 (E_RNA)
where:
Base-Base interactions energy: -18.867
where: short stacking energy: -13.104
Base-Backbone interact. energy: -0.025
local terms energy: -27.173378
where:
bonds (distance) C4'-P energy: -3.920
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -8.005
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -107.005880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.005880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.005880 (E_RNA)
where:
Base-Base interactions energy: -70.554
where: short stacking energy: -28.485
Base-Backbone interact. energy: -0.034
local terms energy: -36.417655
where:
bonds (distance) C4'-P energy: -7.237
bonds (distance) P-C4' energy: -8.901
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -2.838
tors. eta vs tors. theta energy: -8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -101.953461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.953461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.953461 (E_RNA)
where:
Base-Base interactions energy: -67.664
where: short stacking energy: -28.335
Base-Backbone interact. energy: -0.005
local terms energy: -34.285119
where:
bonds (distance) C4'-P energy: -8.457
bonds (distance) P-C4' energy: -6.751
flat angles C4'-P-C4' energy: -7.484
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -101.476805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.476805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.476805 (E_RNA)
where:
Base-Base interactions energy: -64.217
where: short stacking energy: -26.100
Base-Backbone interact. energy: -0.528
local terms energy: -36.731263
where:
bonds (distance) C4'-P energy: -6.565
bonds (distance) P-C4' energy: -9.094
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -98.329999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.329999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.329999 (E_RNA)
where:
Base-Base interactions energy: -66.380
where: short stacking energy: -27.985
Base-Backbone interact. energy: -1.205
local terms energy: -30.744854
where:
bonds (distance) C4'-P energy: -6.648
bonds (distance) P-C4' energy: -7.371
flat angles C4'-P-C4' energy: -5.445
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -97.384409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.384409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.384409 (E_RNA)
where:
Base-Base interactions energy: -65.592
where: short stacking energy: -25.759
Base-Backbone interact. energy: -0.026
local terms energy: -31.767124
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -8.386
flat angles C4'-P-C4' energy: -6.580
flat angles P-C4'-P energy: -6.327
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: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -50.969451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.969451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.969451 (E_RNA)
where:
Base-Base interactions energy: -21.305
where: short stacking energy: -21.305
Base-Backbone interact. energy: -0.002
local terms energy: -29.662225
where:
bonds (distance) C4'-P energy: -6.821
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -7.683
flat angles P-C4'-P energy: -3.178
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -48.056448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.056448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.056448 (E_RNA)
where:
Base-Base interactions energy: -19.665
where: short stacking energy: -19.665
Base-Backbone interact. energy: -0.227
local terms energy: -28.164194
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -8.013
flat angles C4'-P-C4' energy: -4.019
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -58.025978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.025978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.025978 (E_RNA)
where:
Base-Base interactions energy: -27.757
where: short stacking energy: -27.757
Base-Backbone interact. energy: -0.000
local terms energy: -30.268814
where:
bonds (distance) C4'-P energy: -5.323
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -6.891
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -8.709
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: 101
Temperature: 1.300000
Total energy: -47.268035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.268035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.268035 (E_RNA)
where:
Base-Base interactions energy: -13.818
where: short stacking energy: -13.818
Base-Backbone interact. energy: -0.001
local terms energy: -33.449947
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -9.578
flat angles C4'-P-C4' energy: -7.700
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -45.939360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.939360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.939360 (E_RNA)
where:
Base-Base interactions energy: -18.211
where: short stacking energy: -18.211
Base-Backbone interact. energy: 0.961
local terms energy: -28.689412
where:
bonds (distance) C4'-P energy: -7.935
bonds (distance) P-C4' energy: -7.499
flat angles C4'-P-C4' energy: -6.597
flat angles P-C4'-P energy: -3.060
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 1 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 1356639
moves confirmed later: 1570636
all moves confirmed: 2927275
percent of confirmed moves: 1.829547
current total energy: -103.437555
recalc. total energy: -103.437555
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 1353826
moves confirmed later: 1571053
all moves confirmed: 2924879
percent of confirmed moves: 1.828049
current total energy: -91.999496
recalc. total energy: -91.999496
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 1320139
moves confirmed later: 1526240
all moves confirmed: 2846379
percent of confirmed moves: 1.778987
current total energy: -54.231031
recalc. total energy: -54.231031
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 1969518
moves confirmed later: 2402486
all moves confirmed: 4372004
percent of confirmed moves: 2.732502
current total energy: -78.901292
recalc. total energy: -78.901292
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 1323283
moves confirmed later: 1537261
all moves confirmed: 2860544
percent of confirmed moves: 1.787840
current total energy: -71.278961
recalc. total energy: -71.278961
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 2406189
moves confirmed later: 3003489
all moves confirmed: 5409678
percent of confirmed moves: 3.381049
current total energy: -29.652666
recalc. total energy: -29.652666
replica 6 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 2400267
moves confirmed later: 3002097
all moves confirmed: 5402364
percent of confirmed moves: 3.376478
current total energy: -22.745900
recalc. total energy: -22.745900
replica 10 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 2455843
moves confirmed later: 3077211
all moves confirmed: 5533054
percent of confirmed moves: 3.458159
current total energy: -10.723217
recalc. total energy: -10.723217
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 1617363
moves confirmed later: 1946642
all moves confirmed: 3564005
percent of confirmed moves: 2.227503
current total energy: -24.029887
recalc. total energy: -24.029887
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 2486475
moves confirmed later: 3130573
all moves confirmed: 5617048
percent of confirmed moves: 3.510655
current total energy: -10.950067
recalc. total energy: -10.950067
out arg RESULTS//1/Tetraloop_10_steps-a02d61c9_01
Time of doing 1600000 iterations: 154.082 seconds