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/Tte_free-b67a725c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tte_free-b67a725c/inputs/seq.fa: 1
curr_seq: _CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGGUCGCAGUAACCCCAGUUAACAAAACAAG
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 33 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: 170
n_atoms_counter: 170
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 33.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -124.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.526730 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -122.490911
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -27.716
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -193.494577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.494577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.494577 (E_RNA)
where:
Base-Base interactions energy: -91.717
where: short stacking energy: -62.207
Base-Backbone interact. energy: -0.524
local terms energy: -101.253170
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -19.300
tors. eta vs tors. theta energy: -10.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -175.253806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.253806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.253806 (E_RNA)
where:
Base-Base interactions energy: -86.465
where: short stacking energy: -62.875
Base-Backbone interact. energy: -0.238
local terms energy: -88.550965
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -2.714
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -178.238913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.238913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.238913 (E_RNA)
where:
Base-Base interactions energy: -77.075
where: short stacking energy: -59.587
Base-Backbone interact. energy: -0.145
local terms energy: -101.018248
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -174.783792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.783792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.783792 (E_RNA)
where:
Base-Base interactions energy: -86.604
where: short stacking energy: -52.619
Base-Backbone interact. energy: -0.436
local terms energy: -87.743297
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -17.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -187.422245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.422245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.422245 (E_RNA)
where:
Base-Base interactions energy: -90.987
where: short stacking energy: -56.693
Base-Backbone interact. energy: -0.219
local terms energy: -96.216695
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -145.009827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.009827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.009827 (E_RNA)
where:
Base-Base interactions energy: -50.605
where: short stacking energy: -50.605
Base-Backbone interact. energy: -0.322
local terms energy: -94.082848
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -21.950
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -13.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -183.657571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.657571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.657571 (E_RNA)
where:
Base-Base interactions energy: -117.771
where: short stacking energy: -52.883
Base-Backbone interact. energy: -0.085
local terms energy: -65.801876
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -124.884558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.884558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.884558 (E_RNA)
where:
Base-Base interactions energy: -59.472
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.113
local terms energy: -65.299334
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -124.712020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.712020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.712020 (E_RNA)
where:
Base-Base interactions energy: -45.515
where: short stacking energy: -36.178
Base-Backbone interact. energy: 1.090
local terms energy: -80.287553
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -123.949768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.949768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.949768 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.000
local terms energy: -121.913947
where:
bonds (distance) C4'-P energy: -31.946
bonds (distance) P-C4' energy: -30.411
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -27.679
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -213.953605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.953605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.953605 (E_RNA)
where:
Base-Base interactions energy: -113.884
where: short stacking energy: -72.370
Base-Backbone interact. energy: 6.435
local terms energy: -106.505143
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -199.105539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.105539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.105539 (E_RNA)
where:
Base-Base interactions energy: -103.195
where: short stacking energy: -74.775
Base-Backbone interact. energy: -0.271
local terms energy: -95.639828
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -172.017361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.017361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.017361 (E_RNA)
where:
Base-Base interactions energy: -79.935
where: short stacking energy: -67.237
Base-Backbone interact. energy: -0.132
local terms energy: -91.950816
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -206.218668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.218668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.218668 (E_RNA)
where:
Base-Base interactions energy: -113.730
where: short stacking energy: -75.954
Base-Backbone interact. energy: -0.091
local terms energy: -92.397798
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -17.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -237.869784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.869784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.869784 (E_RNA)
where:
Base-Base interactions energy: -137.529
where: short stacking energy: -74.043
Base-Backbone interact. energy: -0.862
local terms energy: -99.479241
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -206.910848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.910848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.910848 (E_RNA)
where:
Base-Base interactions energy: -117.322
where: short stacking energy: -70.333
Base-Backbone interact. energy: -0.683
local terms energy: -88.905598
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -139.822165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.822165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.822165 (E_RNA)
where:
Base-Base interactions energy: -56.849
where: short stacking energy: -55.807
Base-Backbone interact. energy: -0.336
local terms energy: -82.637095
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -132.514923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.514923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.514923 (E_RNA)
where:
Base-Base interactions energy: -62.504
where: short stacking energy: -58.839
Base-Backbone interact. energy: 0.398
local terms energy: -70.409780
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -11.690
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: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -115.739098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.739098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.739098 (E_RNA)
where:
Base-Base interactions energy: -46.953
where: short stacking energy: -40.137
Base-Backbone interact. energy: 0.260
local terms energy: -69.045512
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -98.363033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.363033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.363033 (E_RNA)
where:
Base-Base interactions energy: -28.276
where: short stacking energy: -23.552
Base-Backbone interact. energy: -0.153
local terms energy: -69.934360
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: 2.840
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -210.872290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.872290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.872290 (E_RNA)
where:
Base-Base interactions energy: -106.176
where: short stacking energy: -69.825
Base-Backbone interact. energy: -0.048
local terms energy: -104.647899
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -24.767
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -207.445714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.445714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.445714 (E_RNA)
where:
Base-Base interactions energy: -109.854
where: short stacking energy: -76.485
Base-Backbone interact. energy: 1.604
local terms energy: -99.196061
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -209.628925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.628925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.628925 (E_RNA)
where:
Base-Base interactions energy: -117.690
where: short stacking energy: -64.210
Base-Backbone interact. energy: -0.267
local terms energy: -91.671255
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -9.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -188.259265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.259265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.259265 (E_RNA)
where:
Base-Base interactions energy: -98.404
where: short stacking energy: -55.519
Base-Backbone interact. energy: 0.420
local terms energy: -90.275062
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -11.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -228.695855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.695855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.695855 (E_RNA)
where:
Base-Base interactions energy: -138.728
where: short stacking energy: -74.686
Base-Backbone interact. energy: -0.192
local terms energy: -89.775796
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -205.090967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.090967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.090967 (E_RNA)
where:
Base-Base interactions energy: -115.048
where: short stacking energy: -68.546
Base-Backbone interact. energy: -0.075
local terms energy: -89.967602
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -139.248965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.248965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.248965 (E_RNA)
where:
Base-Base interactions energy: -51.107
where: short stacking energy: -47.326
Base-Backbone interact. energy: -0.722
local terms energy: -87.419917
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -9.001
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -150.280906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.280906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.280906 (E_RNA)
where:
Base-Base interactions energy: -61.859
where: short stacking energy: -53.766
Base-Backbone interact. energy: -0.151
local terms energy: -88.270654
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -12.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -109.699356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.699356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.699356 (E_RNA)
where:
Base-Base interactions energy: -39.864
where: short stacking energy: -30.732
Base-Backbone interact. energy: 0.423
local terms energy: -70.258522
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -2.876
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: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -119.302367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.302367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.302367 (E_RNA)
where:
Base-Base interactions energy: -58.991
where: short stacking energy: -34.240
Base-Backbone interact. energy: -1.211
local terms energy: -59.100123
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: 4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -222.184643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.184643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.184643 (E_RNA)
where:
Base-Base interactions energy: -120.889
where: short stacking energy: -63.851
Base-Backbone interact. energy: -0.316
local terms energy: -100.979435
where:
bonds (distance) C4'-P energy: -24.255
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -235.135351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.135351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.135351 (E_RNA)
where:
Base-Base interactions energy: -129.948
where: short stacking energy: -82.241
Base-Backbone interact. energy: 1.348
local terms energy: -106.535387
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -25.151
flat angles C4'-P-C4' energy: -24.461
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -180.631656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.631656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.631656 (E_RNA)
where:
Base-Base interactions energy: -92.323
where: short stacking energy: -67.711
Base-Backbone interact. energy: -0.323
local terms energy: -87.985247
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -231.809463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.809463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.809463 (E_RNA)
where:
Base-Base interactions energy: -121.106
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.361
local terms energy: -110.342181
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -221.226434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.226434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.226434 (E_RNA)
where:
Base-Base interactions energy: -142.897
where: short stacking energy: -77.975
Base-Backbone interact. energy: -0.170
local terms energy: -78.158781
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -122.517941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.517941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.517941 (E_RNA)
where:
Base-Base interactions energy: -51.980
where: short stacking energy: -50.415
Base-Backbone interact. energy: -0.240
local terms energy: -70.297260
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -208.485185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.485185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.485185 (E_RNA)
where:
Base-Base interactions energy: -121.609
where: short stacking energy: -40.932
Base-Backbone interact. energy: -0.539
local terms energy: -86.337642
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -6.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -136.388388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.388388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.388388 (E_RNA)
where:
Base-Base interactions energy: -49.482
where: short stacking energy: -39.877
Base-Backbone interact. energy: 2.961
local terms energy: -89.867413
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -118.578456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.578456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.578456 (E_RNA)
where:
Base-Base interactions energy: -58.491
where: short stacking energy: -42.655
Base-Backbone interact. energy: -0.182
local terms energy: -59.905683
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -105.725522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.725522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.725522 (E_RNA)
where:
Base-Base interactions energy: -44.673
where: short stacking energy: -38.659
Base-Backbone interact. energy: -0.215
local terms energy: -60.837823
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -257.325873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.325873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.325873 (E_RNA)
where:
Base-Base interactions energy: -143.057
where: short stacking energy: -96.500
Base-Backbone interact. energy: -0.051
local terms energy: -114.217376
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -27.800
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -215.150307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.150307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.150307 (E_RNA)
where:
Base-Base interactions energy: -130.123
where: short stacking energy: -76.832
Base-Backbone interact. energy: -0.457
local terms energy: -84.570547
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -247.573231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.573231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.573231 (E_RNA)
where:
Base-Base interactions energy: -151.400
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.523
local terms energy: -95.650576
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -21.574
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -179.550015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.550015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.550015 (E_RNA)
where:
Base-Base interactions energy: -95.334
where: short stacking energy: -63.836
Base-Backbone interact. energy: -0.189
local terms energy: -84.026428
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -18.053
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: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -250.850561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.850561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.850561 (E_RNA)
where:
Base-Base interactions energy: -167.131
where: short stacking energy: -75.995
Base-Backbone interact. energy: -0.226
local terms energy: -83.493349
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -147.699291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.699291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.699291 (E_RNA)
where:
Base-Base interactions energy: -57.973
where: short stacking energy: -57.973
Base-Backbone interact. energy: -0.001
local terms energy: -89.725116
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -217.275012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.275012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.275012 (E_RNA)
where:
Base-Base interactions energy: -131.073
where: short stacking energy: -74.639
Base-Backbone interact. energy: 0.460
local terms energy: -86.661770
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -120.146734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.146734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.146734 (E_RNA)
where:
Base-Base interactions energy: -47.652
where: short stacking energy: -37.608
Base-Backbone interact. energy: -0.396
local terms energy: -72.098334
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: 1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -135.011531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.011531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.011531 (E_RNA)
where:
Base-Base interactions energy: -50.894
where: short stacking energy: -50.894
Base-Backbone interact. energy: -0.152
local terms energy: -83.965403
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -119.989645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.989645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.989645 (E_RNA)
where:
Base-Base interactions energy: -43.092
where: short stacking energy: -24.345
Base-Backbone interact. energy: 0.089
local terms energy: -76.986460
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -25.178
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -255.648782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.648782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.648782 (E_RNA)
where:
Base-Base interactions energy: -146.783
where: short stacking energy: -83.937
Base-Backbone interact. energy: -0.448
local terms energy: -108.417891
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -20.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -265.282537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.282537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.282537 (E_RNA)
where:
Base-Base interactions energy: -162.614
where: short stacking energy: -99.528
Base-Backbone interact. energy: 1.716
local terms energy: -104.384666
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -23.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -203.317926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.317926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.317926 (E_RNA)
where:
Base-Base interactions energy: -119.448
where: short stacking energy: -64.353
Base-Backbone interact. energy: 0.308
local terms energy: -84.177972
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -10.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -249.979544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.979544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.979544 (E_RNA)
where:
Base-Base interactions energy: -159.934
where: short stacking energy: -77.669
Base-Backbone interact. energy: -0.375
local terms energy: -89.670100
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -173.012621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.012621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.012621 (E_RNA)
where:
Base-Base interactions energy: -89.275
where: short stacking energy: -54.122
Base-Backbone interact. energy: -0.220
local terms energy: -83.517716
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -10.224
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: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -223.377587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.377587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.377587 (E_RNA)
where:
Base-Base interactions energy: -141.895
where: short stacking energy: -73.403
Base-Backbone interact. energy: -0.166
local terms energy: -81.317070
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -126.029752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.029752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.029752 (E_RNA)
where:
Base-Base interactions energy: -46.983
where: short stacking energy: -42.395
Base-Backbone interact. energy: -1.663
local terms energy: -77.382905
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -133.349502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.349502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.349502 (E_RNA)
where:
Base-Base interactions energy: -54.845
where: short stacking energy: -38.102
Base-Backbone interact. energy: -0.144
local terms energy: -78.360580
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: 2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -116.373673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.373673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.373673 (E_RNA)
where:
Base-Base interactions energy: -42.059
where: short stacking energy: -35.835
Base-Backbone interact. energy: 1.036
local terms energy: -75.350415
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -23.932
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: 0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -115.680951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.680951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.680951 (E_RNA)
where:
Base-Base interactions energy: -48.919
where: short stacking energy: -43.413
Base-Backbone interact. energy: -0.570
local terms energy: -66.192572
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -2.381
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: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -273.063267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.063267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.063267 (E_RNA)
where:
Base-Base interactions energy: -164.818
where: short stacking energy: -81.259
Base-Backbone interact. energy: -1.922
local terms energy: -106.322488
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -24.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -260.197035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.197035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.197035 (E_RNA)
where:
Base-Base interactions energy: -158.234
where: short stacking energy: -79.227
Base-Backbone interact. energy: -0.073
local terms energy: -101.889446
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -258.909062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.909062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.909062 (E_RNA)
where:
Base-Base interactions energy: -163.316
where: short stacking energy: -81.745
Base-Backbone interact. energy: -0.122
local terms energy: -95.471121
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -189.676206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.676206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.676206 (E_RNA)
where:
Base-Base interactions energy: -90.679
where: short stacking energy: -57.623
Base-Backbone interact. energy: 0.507
local terms energy: -99.503904
where:
bonds (distance) C4'-P energy: -25.885
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -21.343
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -10.860
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: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -240.411376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.411376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.411376 (E_RNA)
where:
Base-Base interactions energy: -139.867
where: short stacking energy: -68.348
Base-Backbone interact. energy: -0.213
local terms energy: -100.331286
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -21.964
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -24.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -195.368648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.368648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.368648 (E_RNA)
where:
Base-Base interactions energy: -114.986
where: short stacking energy: -77.775
Base-Backbone interact. energy: 0.969
local terms energy: -81.351803
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -15.051
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: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -133.174322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.174322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.174322 (E_RNA)
where:
Base-Base interactions energy: -61.777
where: short stacking energy: -45.248
Base-Backbone interact. energy: -0.416
local terms energy: -70.981433
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -9.540
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: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -113.922078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.922078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.922078 (E_RNA)
where:
Base-Base interactions energy: -51.941
where: short stacking energy: -29.079
Base-Backbone interact. energy: -0.363
local terms energy: -61.618271
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -3.689
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -121.527740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.527740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.527740 (E_RNA)
where:
Base-Base interactions energy: -47.621
where: short stacking energy: -38.650
Base-Backbone interact. energy: -0.386
local terms energy: -73.520509
where:
bonds (distance) C4'-P energy: -22.518
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -115.015858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.015858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.015858 (E_RNA)
where:
Base-Base interactions energy: -45.868
where: short stacking energy: -45.840
Base-Backbone interact. energy: 1.693
local terms energy: -70.840250
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -291.553885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.553885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.553885 (E_RNA)
where:
Base-Base interactions energy: -180.299
where: short stacking energy: -85.511
Base-Backbone interact. energy: -2.083
local terms energy: -109.172062
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -24.265
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -25.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -304.007859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.007859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.007859 (E_RNA)
where:
Base-Base interactions energy: -196.187
where: short stacking energy: -86.428
Base-Backbone interact. energy: 0.258
local terms energy: -108.079254
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -241.620908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.620908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.620908 (E_RNA)
where:
Base-Base interactions energy: -153.511
where: short stacking energy: -82.505
Base-Backbone interact. energy: -0.587
local terms energy: -87.522851
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -14.269
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: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -250.884038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.884038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.884038 (E_RNA)
where:
Base-Base interactions energy: -151.690
where: short stacking energy: -74.445
Base-Backbone interact. energy: -1.169
local terms energy: -98.024992
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -25.897
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -195.412827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.412827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.412827 (E_RNA)
where:
Base-Base interactions energy: -92.204
where: short stacking energy: -67.599
Base-Backbone interact. energy: -0.018
local terms energy: -103.191043
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -140.402317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.402317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.402317 (E_RNA)
where:
Base-Base interactions energy: -58.356
where: short stacking energy: -57.533
Base-Backbone interact. energy: -0.235
local terms energy: -81.811486
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -160.425170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.425170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.425170 (E_RNA)
where:
Base-Base interactions energy: -82.098
where: short stacking energy: -48.421
Base-Backbone interact. energy: -1.501
local terms energy: -76.826389
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -9.827
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: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -130.366217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.366217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.366217 (E_RNA)
where:
Base-Base interactions energy: -59.792
where: short stacking energy: -58.941
Base-Backbone interact. energy: -0.035
local terms energy: -70.539156
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: 0.452
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -111.062932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.062932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.062932 (E_RNA)
where:
Base-Base interactions energy: -44.981
where: short stacking energy: -34.011
Base-Backbone interact. energy: -0.136
local terms energy: -65.945242
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -111.761520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.761520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.761520 (E_RNA)
where:
Base-Base interactions energy: -46.387
where: short stacking energy: -32.629
Base-Backbone interact. energy: -0.374
local terms energy: -65.000202
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: 6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -329.210263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.210263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.210263 (E_RNA)
where:
Base-Base interactions energy: -227.515
where: short stacking energy: -102.280
Base-Backbone interact. energy: -1.406
local terms energy: -100.289644
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -21.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -271.035648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.035648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.035648 (E_RNA)
where:
Base-Base interactions energy: -167.167
where: short stacking energy: -73.236
Base-Backbone interact. energy: -2.703
local terms energy: -101.165703
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -275.080469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.080469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.080469 (E_RNA)
where:
Base-Base interactions energy: -163.422
where: short stacking energy: -72.467
Base-Backbone interact. energy: -0.437
local terms energy: -111.221322
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -26.329
flat angles C4'-P-C4' energy: -27.199
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -259.633965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.633965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.633965 (E_RNA)
where:
Base-Base interactions energy: -165.178
where: short stacking energy: -88.392
Base-Backbone interact. energy: -0.008
local terms energy: -94.447411
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -25.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -202.835610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.835610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.835610 (E_RNA)
where:
Base-Base interactions energy: -124.613
where: short stacking energy: -63.243
Base-Backbone interact. energy: -0.027
local terms energy: -78.196075
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -22.044
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -9.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -151.842643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.842643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.842643 (E_RNA)
where:
Base-Base interactions energy: -65.318
where: short stacking energy: -62.891
Base-Backbone interact. energy: -0.363
local terms energy: -86.161193
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -152.471658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.471658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.471658 (E_RNA)
where:
Base-Base interactions energy: -78.531
where: short stacking energy: -46.601
Base-Backbone interact. energy: -0.701
local terms energy: -73.239367
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -114.266309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.266309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.266309 (E_RNA)
where:
Base-Base interactions energy: -44.229
where: short stacking energy: -44.229
Base-Backbone interact. energy: -0.133
local terms energy: -69.903843
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -15.573
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: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -115.297652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.297652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.297652 (E_RNA)
where:
Base-Base interactions energy: -46.645
where: short stacking energy: -46.645
Base-Backbone interact. energy: -0.100
local terms energy: -68.552200
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -119.467278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.467278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.467278 (E_RNA)
where:
Base-Base interactions energy: -48.501
where: short stacking energy: -48.477
Base-Backbone interact. energy: 0.277
local terms energy: -71.243017
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -338.241405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.241405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.241405 (E_RNA)
where:
Base-Base interactions energy: -218.673
where: short stacking energy: -95.267
Base-Backbone interact. energy: -0.195
local terms energy: -119.373542
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -23.857
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -18.969
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -299.345934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.345934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.345934 (E_RNA)
where:
Base-Base interactions energy: -191.091
where: short stacking energy: -86.316
Base-Backbone interact. energy: -0.265
local terms energy: -107.989303
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -26.702
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: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -277.421657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.421657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.421657 (E_RNA)
where:
Base-Base interactions energy: -175.384
where: short stacking energy: -89.913
Base-Backbone interact. energy: -0.260
local terms energy: -101.777480
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -21.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -260.731528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.731528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.731528 (E_RNA)
where:
Base-Base interactions energy: -155.284
where: short stacking energy: -82.816
Base-Backbone interact. energy: -0.009
local terms energy: -105.438039
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -24.861
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -217.522329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.522329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.522329 (E_RNA)
where:
Base-Base interactions energy: -128.769
where: short stacking energy: -70.833
Base-Backbone interact. energy: -0.110
local terms energy: -88.643535
where:
bonds (distance) C4'-P energy: -23.771
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -155.287912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.287912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.287912 (E_RNA)
where:
Base-Base interactions energy: -67.255
where: short stacking energy: -45.971
Base-Backbone interact. energy: -0.893
local terms energy: -87.140114
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -4.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -140.398009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.398009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.398009 (E_RNA)
where:
Base-Base interactions energy: -59.187
where: short stacking energy: -46.579
Base-Backbone interact. energy: 0.566
local terms energy: -81.777320
where:
bonds (distance) C4'-P energy: -24.440
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -10.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -120.004547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.004547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.004547 (E_RNA)
where:
Base-Base interactions energy: -43.397
where: short stacking energy: -34.736
Base-Backbone interact. energy: -0.152
local terms energy: -76.455645
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -112.499186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.499186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.499186 (E_RNA)
where:
Base-Base interactions energy: -44.232
where: short stacking energy: -42.876
Base-Backbone interact. energy: -0.156
local terms energy: -68.110594
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -114.883427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.883427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.883427 (E_RNA)
where:
Base-Base interactions energy: -42.856
where: short stacking energy: -26.560
Base-Backbone interact. energy: -0.237
local terms energy: -71.791007
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -3.516
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: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -338.803295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.803295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.803295 (E_RNA)
where:
Base-Base interactions energy: -227.952
where: short stacking energy: -114.170
Base-Backbone interact. energy: -0.120
local terms energy: -110.731781
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -26.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -300.598925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.598925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.598925 (E_RNA)
where:
Base-Base interactions energy: -184.886
where: short stacking energy: -86.201
Base-Backbone interact. energy: -0.144
local terms energy: -115.569210
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -25.848
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -21.960
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: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -281.360008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.360008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.360008 (E_RNA)
where:
Base-Base interactions energy: -173.148
where: short stacking energy: -98.507
Base-Backbone interact. energy: -1.114
local terms energy: -107.097420
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -27.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -261.405485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.405485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.405485 (E_RNA)
where:
Base-Base interactions energy: -173.382
where: short stacking energy: -83.552
Base-Backbone interact. energy: -0.544
local terms energy: -87.479067
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -16.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -256.081149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.081149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.081149 (E_RNA)
where:
Base-Base interactions energy: -167.053
where: short stacking energy: -75.056
Base-Backbone interact. energy: -0.211
local terms energy: -88.816298
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -169.808477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.808477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.808477 (E_RNA)
where:
Base-Base interactions energy: -81.809
where: short stacking energy: -50.488
Base-Backbone interact. energy: -0.260
local terms energy: -87.739589
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -8.148
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: 12
Temperature: 1.200000
Total energy: -136.716596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.716596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.716596 (E_RNA)
where:
Base-Base interactions energy: -53.333
where: short stacking energy: -43.297
Base-Backbone interact. energy: -0.144
local terms energy: -83.239671
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -22.139
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -8.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -119.501800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.501800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.501800 (E_RNA)
where:
Base-Base interactions energy: -51.958
where: short stacking energy: -41.684
Base-Backbone interact. energy: -0.247
local terms energy: -67.296989
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -114.011870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.011870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.011870 (E_RNA)
where:
Base-Base interactions energy: -42.862
where: short stacking energy: -42.862
Base-Backbone interact. energy: -0.107
local terms energy: -71.043279
where:
bonds (distance) C4'-P energy: -19.811
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -113.209813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.209813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.209813 (E_RNA)
where:
Base-Base interactions energy: -46.637
where: short stacking energy: -33.290
Base-Backbone interact. energy: -0.468
local terms energy: -66.105653
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -325.911829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.911829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.911829 (E_RNA)
where:
Base-Base interactions energy: -218.491
where: short stacking energy: -97.773
Base-Backbone interact. energy: -0.123
local terms energy: -107.297545
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -24.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -299.820457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.820457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.820457 (E_RNA)
where:
Base-Base interactions energy: -192.279
where: short stacking energy: -83.532
Base-Backbone interact. energy: -0.122
local terms energy: -107.419247
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -24.281
flat angles C4'-P-C4' energy: -25.061
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -266.159634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.159634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.159634 (E_RNA)
where:
Base-Base interactions energy: -155.838
where: short stacking energy: -94.305
Base-Backbone interact. energy: -0.012
local terms energy: -110.310079
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -274.708485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.708485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.708485 (E_RNA)
where:
Base-Base interactions energy: -174.546
where: short stacking energy: -84.663
Base-Backbone interact. energy: -0.239
local terms energy: -99.923961
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -26.600
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -19.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -269.962651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.962651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.962651 (E_RNA)
where:
Base-Base interactions energy: -190.153
where: short stacking energy: -89.313
Base-Backbone interact. energy: -0.333
local terms energy: -79.476970
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -22.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -137.061797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.061797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.061797 (E_RNA)
where:
Base-Base interactions energy: -56.549
where: short stacking energy: -55.258
Base-Backbone interact. energy: -0.551
local terms energy: -79.962716
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -136.454950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.454950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.454950 (E_RNA)
where:
Base-Base interactions energy: -68.538
where: short stacking energy: -41.388
Base-Backbone interact. energy: -0.337
local terms energy: -67.580048
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -112.686721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.686721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.686721 (E_RNA)
where:
Base-Base interactions energy: -41.733
where: short stacking energy: -41.733
Base-Backbone interact. energy: 0.324
local terms energy: -71.278086
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -29.047
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -120.852643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.852643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.852643 (E_RNA)
where:
Base-Base interactions energy: -49.349
where: short stacking energy: -40.259
Base-Backbone interact. energy: 0.038
local terms energy: -71.541331
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -106.983024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.983024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.983024 (E_RNA)
where:
Base-Base interactions energy: -38.516
where: short stacking energy: -36.221
Base-Backbone interact. energy: -0.342
local terms energy: -68.125344
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -7.884
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: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -333.237213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.237213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.237213 (E_RNA)
where:
Base-Base interactions energy: -222.760
where: short stacking energy: -102.518
Base-Backbone interact. energy: 0.802
local terms energy: -111.279270
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -27.838
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: 14
Temperature: 0.950000
Total energy: -303.459955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.459955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.459955 (E_RNA)
where:
Base-Base interactions energy: -201.040
where: short stacking energy: -87.151
Base-Backbone interact. energy: -0.333
local terms energy: -102.087391
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -255.529862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.529862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.529862 (E_RNA)
where:
Base-Base interactions energy: -157.105
where: short stacking energy: -91.542
Base-Backbone interact. energy: -0.131
local terms energy: -98.293748
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: -21.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -282.927876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.927876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.927876 (E_RNA)
where:
Base-Base interactions energy: -180.798
where: short stacking energy: -93.445
Base-Backbone interact. energy: -0.613
local terms energy: -101.516218
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -23.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -288.964188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.964188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.964188 (E_RNA)
where:
Base-Base interactions energy: -188.048
where: short stacking energy: -79.862
Base-Backbone interact. energy: -0.912
local terms energy: -100.005035
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -27.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -154.449839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.449839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.449839 (E_RNA)
where:
Base-Base interactions energy: -62.127
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.185
local terms energy: -92.138495
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -128.499256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.499256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.499256 (E_RNA)
where:
Base-Base interactions energy: -59.536
where: short stacking energy: -30.020
Base-Backbone interact. energy: 2.295
local terms energy: -71.258784
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -24.925
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: 1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -129.989222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.989222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.989222 (E_RNA)
where:
Base-Base interactions energy: -61.557
where: short stacking energy: -60.994
Base-Backbone interact. energy: -0.352
local terms energy: -68.079451
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -122.039184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.039184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.039184 (E_RNA)
where:
Base-Base interactions energy: -50.080
where: short stacking energy: -47.851
Base-Backbone interact. energy: -0.212
local terms energy: -71.747193
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -10.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -108.217872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.217872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.217872 (E_RNA)
where:
Base-Base interactions energy: -43.792
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.462
local terms energy: -63.963629
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -338.770995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.770995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.770995 (E_RNA)
where:
Base-Base interactions energy: -221.100
where: short stacking energy: -100.369
Base-Backbone interact. energy: -2.397
local terms energy: -115.274506
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: -29.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -310.110682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.110682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.110682 (E_RNA)
where:
Base-Base interactions energy: -211.344
where: short stacking energy: -93.335
Base-Backbone interact. energy: -0.010
local terms energy: -98.756683
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -24.618
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -18.982
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: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -248.966891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.966891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.966891 (E_RNA)
where:
Base-Base interactions energy: -153.614
where: short stacking energy: -86.465
Base-Backbone interact. energy: -0.036
local terms energy: -95.317106
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -21.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -267.744764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.744764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.744764 (E_RNA)
where:
Base-Base interactions energy: -178.972
where: short stacking energy: -100.615
Base-Backbone interact. energy: -0.034
local terms energy: -88.738751
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -279.888832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.888832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.888832 (E_RNA)
where:
Base-Base interactions energy: -173.715
where: short stacking energy: -93.896
Base-Backbone interact. energy: -0.759
local terms energy: -105.414864
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -26.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -145.517592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.517592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.517592 (E_RNA)
where:
Base-Base interactions energy: -62.059
where: short stacking energy: -59.846
Base-Backbone interact. energy: -0.491
local terms energy: -82.967727
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -8.641
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: 7, replica: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -137.526680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.526680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.526680 (E_RNA)
where:
Base-Base interactions energy: -45.535
where: short stacking energy: -44.014
Base-Backbone interact. energy: -0.100
local terms energy: -91.891864
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -12.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -157.798818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.798818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.798818 (E_RNA)
where:
Base-Base interactions energy: -88.674
where: short stacking energy: -43.590
Base-Backbone interact. energy: -0.687
local terms energy: -68.437615
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -1.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -113.205211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.205211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.205211 (E_RNA)
where:
Base-Base interactions energy: -43.630
where: short stacking energy: -38.613
Base-Backbone interact. energy: 0.812
local terms energy: -70.387240
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -105.364080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.364080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.364080 (E_RNA)
where:
Base-Base interactions energy: -34.684
where: short stacking energy: -32.833
Base-Backbone interact. energy: 0.940
local terms energy: -71.620570
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -307.611032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.611032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.611032 (E_RNA)
where:
Base-Base interactions energy: -202.162
where: short stacking energy: -75.985
Base-Backbone interact. energy: -1.047
local terms energy: -104.402765
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -18.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -312.259977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.259977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.259977 (E_RNA)
where:
Base-Base interactions energy: -213.355
where: short stacking energy: -99.170
Base-Backbone interact. energy: -0.195
local terms energy: -98.710146
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -22.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -293.244957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.244957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.244957 (E_RNA)
where:
Base-Base interactions energy: -196.583
where: short stacking energy: -82.026
Base-Backbone interact. energy: -0.051
local terms energy: -96.610974
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -260.239400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.239400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.239400 (E_RNA)
where:
Base-Base interactions energy: -171.054
where: short stacking energy: -70.372
Base-Backbone interact. energy: -0.616
local terms energy: -88.568760
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -290.439389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.439389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.439389 (E_RNA)
where:
Base-Base interactions energy: -188.562
where: short stacking energy: -82.004
Base-Backbone interact. energy: -0.439
local terms energy: -101.438470
where:
bonds (distance) C4'-P energy: -22.128
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -161.686933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.686933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.686933 (E_RNA)
where:
Base-Base interactions energy: -83.388
where: short stacking energy: -54.644
Base-Backbone interact. energy: -0.044
local terms energy: -78.255636
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -8.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -189.389570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.389570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.389570 (E_RNA)
where:
Base-Base interactions energy: -101.693
where: short stacking energy: -62.552
Base-Backbone interact. energy: -0.053
local terms energy: -87.643423
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -131.105539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.105539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.105539 (E_RNA)
where:
Base-Base interactions energy: -53.228
where: short stacking energy: -52.929
Base-Backbone interact. energy: -0.392
local terms energy: -77.485011
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -14.822
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: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -112.511875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.511875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.511875 (E_RNA)
where:
Base-Base interactions energy: -47.489
where: short stacking energy: -37.388
Base-Backbone interact. energy: 2.523
local terms energy: -67.546096
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -6.620
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: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -102.044622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.044622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.044622 (E_RNA)
where:
Base-Base interactions energy: -34.754
where: short stacking energy: -33.915
Base-Backbone interact. energy: -0.102
local terms energy: -67.188060
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -312.994086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.994086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.994086 (E_RNA)
where:
Base-Base interactions energy: -209.208
where: short stacking energy: -94.423
Base-Backbone interact. energy: 0.174
local terms energy: -103.959659
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -307.949083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.949083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.949083 (E_RNA)
where:
Base-Base interactions energy: -203.045
where: short stacking energy: -84.951
Base-Backbone interact. energy: -0.325
local terms energy: -104.579429
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -308.484960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.484960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.484960 (E_RNA)
where:
Base-Base interactions energy: -201.676
where: short stacking energy: -88.899
Base-Backbone interact. energy: -0.460
local terms energy: -106.349171
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -20.901
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: 17
Temperature: 1.050000
Total energy: -303.081545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.081545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.081545 (E_RNA)
where:
Base-Base interactions energy: -206.299
where: short stacking energy: -78.884
Base-Backbone interact. energy: -0.813
local terms energy: -95.969961
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -239.823495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.823495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.823495 (E_RNA)
where:
Base-Base interactions energy: -142.360
where: short stacking energy: -71.224
Base-Backbone interact. energy: -0.240
local terms energy: -97.223506
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -187.627504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.627504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.627504 (E_RNA)
where:
Base-Base interactions energy: -112.581
where: short stacking energy: -34.119
Base-Backbone interact. energy: -2.090
local terms energy: -72.956044
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -172.640530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.640530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.640530 (E_RNA)
where:
Base-Base interactions energy: -85.479
where: short stacking energy: -74.265
Base-Backbone interact. energy: -0.151
local terms energy: -87.010964
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -128.945278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.945278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.945278 (E_RNA)
where:
Base-Base interactions energy: -66.487
where: short stacking energy: -39.934
Base-Backbone interact. energy: -1.366
local terms energy: -61.092679
where:
bonds (distance) C4'-P energy: -24.872
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -1.752
tors. eta vs tors. theta energy: -1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -111.907630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.907630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.907630 (E_RNA)
where:
Base-Base interactions energy: -39.114
where: short stacking energy: -39.114
Base-Backbone interact. energy: -0.457
local terms energy: -72.337389
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -17.686
tors. eta vs tors. theta energy: 0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -117.483479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.483479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.483479 (E_RNA)
where:
Base-Base interactions energy: -45.118
where: short stacking energy: -29.587
Base-Backbone interact. energy: -0.109
local terms energy: -72.257202
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -24.747
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -306.791281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.791281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.791281 (E_RNA)
where:
Base-Base interactions energy: -204.476
where: short stacking energy: -90.116
Base-Backbone interact. energy: 1.159
local terms energy: -103.473994
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -22.843
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: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -301.803416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.803416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.803416 (E_RNA)
where:
Base-Base interactions energy: -203.143
where: short stacking energy: -92.811
Base-Backbone interact. energy: -0.479
local terms energy: -98.181284
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -323.358548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.358548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.358548 (E_RNA)
where:
Base-Base interactions energy: -215.858
where: short stacking energy: -92.647
Base-Backbone interact. energy: -0.541
local terms energy: -106.959406
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -283.485521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.485521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.485521 (E_RNA)
where:
Base-Base interactions energy: -183.987
where: short stacking energy: -82.240
Base-Backbone interact. energy: -0.860
local terms energy: -98.638730
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -24.369
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -226.702869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.702869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.702869 (E_RNA)
where:
Base-Base interactions energy: -125.516
where: short stacking energy: -70.365
Base-Backbone interact. energy: -0.113
local terms energy: -101.073391
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -193.163953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.163953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.163953 (E_RNA)
where:
Base-Base interactions energy: -101.836
where: short stacking energy: -50.775
Base-Backbone interact. energy: -0.488
local terms energy: -90.839797
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -171.427873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.427873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.427873 (E_RNA)
where:
Base-Base interactions energy: -91.925
where: short stacking energy: -51.512
Base-Backbone interact. energy: -0.298
local terms energy: -79.205030
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -123.755586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.755586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.755586 (E_RNA)
where:
Base-Base interactions energy: -39.475
where: short stacking energy: -30.088
Base-Backbone interact. energy: -0.272
local terms energy: -84.009272
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -111.643331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.643331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.643331 (E_RNA)
where:
Base-Base interactions energy: -40.456
where: short stacking energy: -40.033
Base-Backbone interact. energy: -0.136
local terms energy: -71.051603
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -4.848
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -114.251834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.251834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.251834 (E_RNA)
where:
Base-Base interactions energy: -48.481
where: short stacking energy: -43.243
Base-Backbone interact. energy: 0.154
local terms energy: -65.925352
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -316.629252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.629252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.629252 (E_RNA)
where:
Base-Base interactions energy: -198.575
where: short stacking energy: -86.703
Base-Backbone interact. energy: 0.064
local terms energy: -118.118838
where:
bonds (distance) C4'-P energy: -28.117
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -24.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -329.132198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.132198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.132198 (E_RNA)
where:
Base-Base interactions energy: -219.313
where: short stacking energy: -94.630
Base-Backbone interact. energy: 0.827
local terms energy: -110.645546
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -24.142
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -25.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -315.573684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.573684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.573684 (E_RNA)
where:
Base-Base interactions energy: -201.351
where: short stacking energy: -94.857
Base-Backbone interact. energy: -0.722
local terms energy: -113.500734
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -30.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -252.731201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.731201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.731201 (E_RNA)
where:
Base-Base interactions energy: -146.566
where: short stacking energy: -76.053
Base-Backbone interact. energy: -0.338
local terms energy: -105.826802
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -281.585103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.585103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.585103 (E_RNA)
where:
Base-Base interactions energy: -177.889
where: short stacking energy: -67.095
Base-Backbone interact. energy: -0.242
local terms energy: -103.454896
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -20.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -214.286347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.286347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.286347 (E_RNA)
where:
Base-Base interactions energy: -129.806
where: short stacking energy: -60.299
Base-Backbone interact. energy: -0.121
local terms energy: -84.359238
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -167.691057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.691057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.691057 (E_RNA)
where:
Base-Base interactions energy: -86.737
where: short stacking energy: -50.201
Base-Backbone interact. energy: 0.709
local terms energy: -81.663550
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -4.490
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: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -112.553153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.553153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.553153 (E_RNA)
where:
Base-Base interactions energy: -36.109
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.160
local terms energy: -76.283991
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -120.294811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.294811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.294811 (E_RNA)
where:
Base-Base interactions energy: -56.285
where: short stacking energy: -54.258
Base-Backbone interact. energy: -0.179
local terms energy: -63.830981
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -1.789
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: 3
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -107.295040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.295040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.295040 (E_RNA)
where:
Base-Base interactions energy: -41.800
where: short stacking energy: -36.163
Base-Backbone interact. energy: 1.890
local terms energy: -67.384738
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -12.964
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: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -345.855912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.855912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.855912 (E_RNA)
where:
Base-Base interactions energy: -234.797
where: short stacking energy: -102.149
Base-Backbone interact. energy: -0.703
local terms energy: -110.356028
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -26.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -324.651909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.651909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.651909 (E_RNA)
where:
Base-Base interactions energy: -217.685
where: short stacking energy: -93.428
Base-Backbone interact. energy: 1.886
local terms energy: -108.852481
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -29.705
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: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -314.990770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.990770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.990770 (E_RNA)
where:
Base-Base interactions energy: -211.456
where: short stacking energy: -89.041
Base-Backbone interact. energy: -0.168
local terms energy: -103.366304
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -19.151
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -297.563938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.563938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.563938 (E_RNA)
where:
Base-Base interactions energy: -192.406
where: short stacking energy: -84.958
Base-Backbone interact. energy: -0.141
local terms energy: -105.016514
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -26.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -268.699581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.699581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.699581 (E_RNA)
where:
Base-Base interactions energy: -171.261
where: short stacking energy: -69.176
Base-Backbone interact. energy: -0.241
local terms energy: -97.197636
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -223.134994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.134994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.134994 (E_RNA)
where:
Base-Base interactions energy: -136.841
where: short stacking energy: -55.846
Base-Backbone interact. energy: -0.364
local terms energy: -85.929745
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -202.637906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.637906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.637906 (E_RNA)
where:
Base-Base interactions energy: -126.418
where: short stacking energy: -55.629
Base-Backbone interact. energy: -0.726
local terms energy: -75.493805
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -151.936678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.936678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.936678 (E_RNA)
where:
Base-Base interactions energy: -70.634
where: short stacking energy: -45.742
Base-Backbone interact. energy: 0.042
local terms energy: -81.344327
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -125.877338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.877338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.877338 (E_RNA)
where:
Base-Base interactions energy: -45.235
where: short stacking energy: -39.849
Base-Backbone interact. energy: -0.916
local terms energy: -79.726360
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: 1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -114.928012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.928012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.928012 (E_RNA)
where:
Base-Base interactions energy: -46.331
where: short stacking energy: -42.571
Base-Backbone interact. energy: -0.245
local terms energy: -68.352205
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -8.787
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -337.513107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.513107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.513107 (E_RNA)
where:
Base-Base interactions energy: -218.633
where: short stacking energy: -104.888
Base-Backbone interact. energy: -0.583
local terms energy: -118.296145
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -26.612
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -28.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -305.787101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.787101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.787101 (E_RNA)
where:
Base-Base interactions energy: -201.668
where: short stacking energy: -93.949
Base-Backbone interact. energy: -0.360
local terms energy: -103.759486
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -19.054
tors. eta vs tors. theta energy: -25.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -308.326290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.326290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.326290 (E_RNA)
where:
Base-Base interactions energy: -207.002
where: short stacking energy: -93.461
Base-Backbone interact. energy: 1.420
local terms energy: -102.744351
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -27.059
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -308.294816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.294816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.294816 (E_RNA)
where:
Base-Base interactions energy: -204.025
where: short stacking energy: -81.425
Base-Backbone interact. energy: -0.556
local terms energy: -103.713473
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -28.967
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: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -279.103772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.103772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.103772 (E_RNA)
where:
Base-Base interactions energy: -181.281
where: short stacking energy: -89.463
Base-Backbone interact. energy: -0.057
local terms energy: -97.765361
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -209.108683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.108683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.108683 (E_RNA)
where:
Base-Base interactions energy: -118.809
where: short stacking energy: -64.544
Base-Backbone interact. energy: -0.043
local terms energy: -90.256670
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -202.946254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.946254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.946254 (E_RNA)
where:
Base-Base interactions energy: -121.581
where: short stacking energy: -46.442
Base-Backbone interact. energy: -1.444
local terms energy: -79.921406
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -22.403
flat angles C4'-P-C4' energy: -24.297
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -119.484558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.484558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.484558 (E_RNA)
where:
Base-Base interactions energy: -51.805
where: short stacking energy: -30.714
Base-Backbone interact. energy: -0.392
local terms energy: -67.286996
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: 2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -108.938859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.938859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.938859 (E_RNA)
where:
Base-Base interactions energy: -40.510
where: short stacking energy: -36.382
Base-Backbone interact. energy: -0.533
local terms energy: -67.895730
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -109.135298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.135298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.135298 (E_RNA)
where:
Base-Base interactions energy: -36.447
where: short stacking energy: -33.744
Base-Backbone interact. energy: -0.151
local terms energy: -72.537445
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -333.667549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.667549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.667549 (E_RNA)
where:
Base-Base interactions energy: -217.911
where: short stacking energy: -99.134
Base-Backbone interact. energy: 0.016
local terms energy: -115.772636
where:
bonds (distance) C4'-P energy: -24.864
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -23.131
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -26.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -311.351800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.351800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.351800 (E_RNA)
where:
Base-Base interactions energy: -201.406
where: short stacking energy: -81.230
Base-Backbone interact. energy: -0.244
local terms energy: -109.701236
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -27.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -323.857428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.857428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.857428 (E_RNA)
where:
Base-Base interactions energy: -222.840
where: short stacking energy: -87.633
Base-Backbone interact. energy: -1.058
local terms energy: -99.959101
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -26.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -292.271992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.271992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.271992 (E_RNA)
where:
Base-Base interactions energy: -190.223
where: short stacking energy: -91.186
Base-Backbone interact. energy: -0.054
local terms energy: -101.995431
where:
bonds (distance) C4'-P energy: -21.690
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -26.684
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -23.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -277.351033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.351033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.351033 (E_RNA)
where:
Base-Base interactions energy: -177.340
where: short stacking energy: -87.087
Base-Backbone interact. energy: -0.340
local terms energy: -99.670846
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -206.525384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.525384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.525384 (E_RNA)
where:
Base-Base interactions energy: -118.591
where: short stacking energy: -74.797
Base-Backbone interact. energy: -0.136
local terms energy: -87.797738
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -221.223195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.223195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.223195 (E_RNA)
where:
Base-Base interactions energy: -136.773
where: short stacking energy: -61.040
Base-Backbone interact. energy: -0.597
local terms energy: -83.853172
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -125.205256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.205256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.205256 (E_RNA)
where:
Base-Base interactions energy: -42.586
where: short stacking energy: -41.334
Base-Backbone interact. energy: 0.217
local terms energy: -82.836706
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -118.541358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.541358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.541358 (E_RNA)
where:
Base-Base interactions energy: -47.436
where: short stacking energy: -34.697
Base-Backbone interact. energy: -0.180
local terms energy: -70.925407
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -112.430606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.430606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.430606 (E_RNA)
where:
Base-Base interactions energy: -47.533
where: short stacking energy: -35.267
Base-Backbone interact. energy: -0.555
local terms energy: -64.342124
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -0.064
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: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -338.102320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.102320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.102320 (E_RNA)
where:
Base-Base interactions energy: -223.530
where: short stacking energy: -107.770
Base-Backbone interact. energy: -0.116
local terms energy: -114.456206
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -28.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -327.010665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.010665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.010665 (E_RNA)
where:
Base-Base interactions energy: -218.770
where: short stacking energy: -85.520
Base-Backbone interact. energy: -0.684
local terms energy: -107.556299
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -24.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -306.136727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.136727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.136727 (E_RNA)
where:
Base-Base interactions energy: -200.966
where: short stacking energy: -97.489
Base-Backbone interact. energy: -0.169
local terms energy: -105.001780
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -28.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -290.575591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.575591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.575591 (E_RNA)
where:
Base-Base interactions energy: -186.587
where: short stacking energy: -82.604
Base-Backbone interact. energy: -0.476
local terms energy: -103.512311
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -24.595
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -286.858540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.858540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.858540 (E_RNA)
where:
Base-Base interactions energy: -187.158
where: short stacking energy: -87.723
Base-Backbone interact. energy: -0.013
local terms energy: -99.687115
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -219.650581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.650581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.650581 (E_RNA)
where:
Base-Base interactions energy: -126.824
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.443
local terms energy: -92.383533
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -14.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -180.654343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.654343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.654343 (E_RNA)
where:
Base-Base interactions energy: -90.387
where: short stacking energy: -48.719
Base-Backbone interact. energy: -0.089
local terms energy: -90.178059
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -12.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -121.622701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.622701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.622701 (E_RNA)
where:
Base-Base interactions energy: -49.960
where: short stacking energy: -49.810
Base-Backbone interact. energy: -0.882
local terms energy: -70.779952
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -117.274611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.274611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.274611 (E_RNA)
where:
Base-Base interactions energy: -48.602
where: short stacking energy: -34.012
Base-Backbone interact. energy: -0.302
local terms energy: -68.371177
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -9.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -102.044147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.044147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.044147 (E_RNA)
where:
Base-Base interactions energy: -35.464
where: short stacking energy: -25.342
Base-Backbone interact. energy: 0.457
local terms energy: -67.037565
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -365.142026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.142026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.142026 (E_RNA)
where:
Base-Base interactions energy: -243.869
where: short stacking energy: -100.831
Base-Backbone interact. energy: -0.045
local terms energy: -121.227621
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -26.229
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -33.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -326.440290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.440290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.440290 (E_RNA)
where:
Base-Base interactions energy: -211.151
where: short stacking energy: -97.181
Base-Backbone interact. energy: -0.438
local terms energy: -114.851006
where:
bonds (distance) C4'-P energy: -25.393
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -30.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -286.859174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.859174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.859174 (E_RNA)
where:
Base-Base interactions energy: -194.707
where: short stacking energy: -62.420
Base-Backbone interact. energy: 0.637
local terms energy: -92.788555
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -292.056676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.056676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.056676 (E_RNA)
where:
Base-Base interactions energy: -198.844
where: short stacking energy: -86.404
Base-Backbone interact. energy: -0.124
local terms energy: -93.088213
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -289.422628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.422628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.422628 (E_RNA)
where:
Base-Base interactions energy: -192.910
where: short stacking energy: -85.349
Base-Backbone interact. energy: 1.879
local terms energy: -98.391444
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -224.411490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.411490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.411490 (E_RNA)
where:
Base-Base interactions energy: -129.050
where: short stacking energy: -76.603
Base-Backbone interact. energy: -0.275
local terms energy: -95.086218
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -187.418206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.418206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.418206 (E_RNA)
where:
Base-Base interactions energy: -92.546
where: short stacking energy: -53.690
Base-Backbone interact. energy: -0.484
local terms energy: -94.387834
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -142.192932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.192932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.192932 (E_RNA)
where:
Base-Base interactions energy: -70.162
where: short stacking energy: -54.778
Base-Backbone interact. energy: 0.158
local terms energy: -72.187965
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -115.343455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.343455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.343455 (E_RNA)
where:
Base-Base interactions energy: -51.296
where: short stacking energy: -47.707
Base-Backbone interact. energy: -0.500
local terms energy: -63.547618
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -1.496
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: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -117.572075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.572075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.572075 (E_RNA)
where:
Base-Base interactions energy: -48.357
where: short stacking energy: -36.081
Base-Backbone interact. energy: -0.139
local terms energy: -69.076182
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -369.536330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.536330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.536330 (E_RNA)
where:
Base-Base interactions energy: -250.943
where: short stacking energy: -111.098
Base-Backbone interact. energy: -0.096
local terms energy: -118.497814
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -36.005
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: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -320.143661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.143661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.143661 (E_RNA)
where:
Base-Base interactions energy: -211.482
where: short stacking energy: -90.561
Base-Backbone interact. energy: 0.702
local terms energy: -109.363808
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: -26.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -313.999675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.999675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.999675 (E_RNA)
where:
Base-Base interactions energy: -209.594
where: short stacking energy: -88.364
Base-Backbone interact. energy: -0.084
local terms energy: -104.321528
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -22.305
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: 7
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -288.075978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.075978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.075978 (E_RNA)
where:
Base-Base interactions energy: -194.035
where: short stacking energy: -79.889
Base-Backbone interact. energy: 0.096
local terms energy: -94.136644
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -273.468796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.468796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.468796 (E_RNA)
where:
Base-Base interactions energy: -177.984
where: short stacking energy: -80.133
Base-Backbone interact. energy: 0.193
local terms energy: -95.677905
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -209.874127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.874127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.874127 (E_RNA)
where:
Base-Base interactions energy: -124.050
where: short stacking energy: -69.353
Base-Backbone interact. energy: -1.054
local terms energy: -84.770622
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -188.327542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.327542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.327542 (E_RNA)
where:
Base-Base interactions energy: -99.975
where: short stacking energy: -58.752
Base-Backbone interact. energy: -1.052
local terms energy: -87.300553
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -118.086908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.086908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.086908 (E_RNA)
where:
Base-Base interactions energy: -42.820
where: short stacking energy: -42.820
Base-Backbone interact. energy: 0.562
local terms energy: -75.829094
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -24.238
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -10.793
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: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -111.649619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.649619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.649619 (E_RNA)
where:
Base-Base interactions energy: -37.243
where: short stacking energy: -37.243
Base-Backbone interact. energy: -0.878
local terms energy: -73.528821
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: 0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -105.092547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.092547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.092547 (E_RNA)
where:
Base-Base interactions energy: -36.298
where: short stacking energy: -37.063
Base-Backbone interact. energy: -0.390
local terms energy: -68.404641
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: 1.400
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: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -365.323381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.323381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.323381 (E_RNA)
where:
Base-Base interactions energy: -250.999
where: short stacking energy: -103.485
Base-Backbone interact. energy: -0.356
local terms energy: -113.968915
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -33.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -322.762409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.762409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.762409 (E_RNA)
where:
Base-Base interactions energy: -212.622
where: short stacking energy: -92.867
Base-Backbone interact. energy: -0.009
local terms energy: -110.131772
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -25.254
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -27.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -315.549359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.549359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.549359 (E_RNA)
where:
Base-Base interactions energy: -207.547
where: short stacking energy: -94.371
Base-Backbone interact. energy: -0.211
local terms energy: -107.791755
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -27.994
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -22.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -293.219372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.219372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.219372 (E_RNA)
where:
Base-Base interactions energy: -198.632
where: short stacking energy: -90.173
Base-Backbone interact. energy: 2.416
local terms energy: -97.003995
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -281.111745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.111745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.111745 (E_RNA)
where:
Base-Base interactions energy: -180.638
where: short stacking energy: -87.483
Base-Backbone interact. energy: -0.121
local terms energy: -100.352715
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -23.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -199.973745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.973745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.973745 (E_RNA)
where:
Base-Base interactions energy: -117.653
where: short stacking energy: -60.158
Base-Backbone interact. energy: -1.400
local terms energy: -80.920773
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -187.236460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.236460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.236460 (E_RNA)
where:
Base-Base interactions energy: -106.616
where: short stacking energy: -62.749
Base-Backbone interact. energy: -0.593
local terms energy: -80.028218
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -113.382872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.382872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.382872 (E_RNA)
where:
Base-Base interactions energy: -39.337
where: short stacking energy: -38.281
Base-Backbone interact. energy: -0.267
local terms energy: -73.778872
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -20.871
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -120.610429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.610429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.610429 (E_RNA)
where:
Base-Base interactions energy: -48.259
where: short stacking energy: -47.412
Base-Backbone interact. energy: -0.206
local terms energy: -72.146295
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -104.410165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.410165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.410165 (E_RNA)
where:
Base-Base interactions energy: -49.229
where: short stacking energy: -28.883
Base-Backbone interact. energy: -0.930
local terms energy: -54.251525
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -2.740
tors. eta vs tors. theta energy: -0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -373.561203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.561203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.561203 (E_RNA)
where:
Base-Base interactions energy: -257.673
where: short stacking energy: -117.927
Base-Backbone interact. energy: -0.024
local terms energy: -115.864037
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -34.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -328.322857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.322857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.322857 (E_RNA)
where:
Base-Base interactions energy: -217.887
where: short stacking energy: -95.539
Base-Backbone interact. energy: 1.905
local terms energy: -112.340394
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -24.074
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -30.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -292.692243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.692243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.692243 (E_RNA)
where:
Base-Base interactions energy: -184.395
where: short stacking energy: -95.497
Base-Backbone interact. energy: 0.535
local terms energy: -108.832395
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -27.030
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -26.479
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: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -271.735894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.735894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.735894 (E_RNA)
where:
Base-Base interactions energy: -179.782
where: short stacking energy: -83.451
Base-Backbone interact. energy: -0.104
local terms energy: -91.849436
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -279.627384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.627384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.627384 (E_RNA)
where:
Base-Base interactions energy: -175.026
where: short stacking energy: -71.439
Base-Backbone interact. energy: -0.871
local terms energy: -103.730939
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -23.989
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -23.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -187.299813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.299813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.299813 (E_RNA)
where:
Base-Base interactions energy: -102.466
where: short stacking energy: -60.647
Base-Backbone interact. energy: -0.124
local terms energy: -84.709804
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -14.916
tors. eta vs tors. theta energy: -9.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -179.408570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.408570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.408570 (E_RNA)
where:
Base-Base interactions energy: -87.446
where: short stacking energy: -46.245
Base-Backbone interact. energy: -2.453
local terms energy: -89.509413
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -123.492992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.492992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.492992 (E_RNA)
where:
Base-Base interactions energy: -49.031
where: short stacking energy: -45.509
Base-Backbone interact. energy: -0.246
local terms energy: -74.216002
where:
bonds (distance) C4'-P energy: -23.449
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -9.455
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: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -110.721259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.721259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.721259 (E_RNA)
where:
Base-Base interactions energy: -33.336
where: short stacking energy: -24.367
Base-Backbone interact. energy: -1.071
local terms energy: -76.313804
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: 1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -116.236061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.236061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.236061 (E_RNA)
where:
Base-Base interactions energy: -47.402
where: short stacking energy: -33.044
Base-Backbone interact. energy: -0.781
local terms energy: -68.053440
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: 3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -366.991146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.991146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.991146 (E_RNA)
where:
Base-Base interactions energy: -250.696
where: short stacking energy: -112.055
Base-Backbone interact. energy: -0.243
local terms energy: -116.052116
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -32.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -347.054827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.054827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.054827 (E_RNA)
where:
Base-Base interactions energy: -225.370
where: short stacking energy: -106.665
Base-Backbone interact. energy: -0.733
local terms energy: -120.951380
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -25.038
flat angles C4'-P-C4' energy: -25.096
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -29.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -302.942246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.942246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.942246 (E_RNA)
where:
Base-Base interactions energy: -189.969
where: short stacking energy: -96.019
Base-Backbone interact. energy: -2.131
local terms energy: -110.841797
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -26.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -263.260463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.260463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.260463 (E_RNA)
where:
Base-Base interactions energy: -167.711
where: short stacking energy: -76.255
Base-Backbone interact. energy: 1.023
local terms energy: -96.573379
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -276.578228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.578228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.578228 (E_RNA)
where:
Base-Base interactions energy: -182.141
where: short stacking energy: -81.415
Base-Backbone interact. energy: 0.424
local terms energy: -94.861396
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -181.120925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.120925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.120925 (E_RNA)
where:
Base-Base interactions energy: -96.057
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.155
local terms energy: -84.909780
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -11.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -177.739907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.739907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.739907 (E_RNA)
where:
Base-Base interactions energy: -99.639
where: short stacking energy: -52.459
Base-Backbone interact. energy: 1.060
local terms energy: -79.160547
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -126.082525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.082525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.082525 (E_RNA)
where:
Base-Base interactions energy: -51.937
where: short stacking energy: -38.434
Base-Backbone interact. energy: 1.263
local terms energy: -75.408381
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -117.150694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.150694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.150694 (E_RNA)
where:
Base-Base interactions energy: -53.162
where: short stacking energy: -41.199
Base-Backbone interact. energy: -0.182
local terms energy: -63.806876
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -105.399093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.399093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.399093 (E_RNA)
where:
Base-Base interactions energy: -34.937
where: short stacking energy: -34.937
Base-Backbone interact. energy: 0.565
local terms energy: -71.026902
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -369.249641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.249641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.249641 (E_RNA)
where:
Base-Base interactions energy: -248.441
where: short stacking energy: -112.718
Base-Backbone interact. energy: -0.091
local terms energy: -120.717615
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -35.253
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: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -349.050886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.050886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.050886 (E_RNA)
where:
Base-Base interactions energy: -243.460
where: short stacking energy: -101.573
Base-Backbone interact. energy: -1.097
local terms energy: -104.493270
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -28.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -299.456744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.456744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.456744 (E_RNA)
where:
Base-Base interactions energy: -189.028
where: short stacking energy: -101.141
Base-Backbone interact. energy: -0.135
local terms energy: -110.293535
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -30.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -277.928705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.928705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.928705 (E_RNA)
where:
Base-Base interactions energy: -188.292
where: short stacking energy: -77.258
Base-Backbone interact. energy: -0.605
local terms energy: -89.031259
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -275.535451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.535451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.535451 (E_RNA)
where:
Base-Base interactions energy: -180.998
where: short stacking energy: -80.395
Base-Backbone interact. energy: -0.136
local terms energy: -94.401807
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -145.697089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.697089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.697089 (E_RNA)
where:
Base-Base interactions energy: -56.530
where: short stacking energy: -53.195
Base-Backbone interact. energy: -0.182
local terms energy: -88.984814
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -185.779919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.779919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.779919 (E_RNA)
where:
Base-Base interactions energy: -104.200
where: short stacking energy: -61.651
Base-Backbone interact. energy: -0.744
local terms energy: -80.835887
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -124.853872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.853872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.853872 (E_RNA)
where:
Base-Base interactions energy: -54.074
where: short stacking energy: -48.732
Base-Backbone interact. energy: 0.311
local terms energy: -71.091407
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -109.712291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.712291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.712291 (E_RNA)
where:
Base-Base interactions energy: -41.741
where: short stacking energy: -41.723
Base-Backbone interact. energy: 0.852
local terms energy: -68.823602
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -97.445596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.445596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.445596 (E_RNA)
where:
Base-Base interactions energy: -39.050
where: short stacking energy: -35.009
Base-Backbone interact. energy: -0.158
local terms energy: -58.237682
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -3.609
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: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -362.064172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.064172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.064172 (E_RNA)
where:
Base-Base interactions energy: -253.475
where: short stacking energy: -102.138
Base-Backbone interact. energy: -0.105
local terms energy: -108.483246
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -32.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -334.364304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.364304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.364304 (E_RNA)
where:
Base-Base interactions energy: -219.409
where: short stacking energy: -100.550
Base-Backbone interact. energy: -0.668
local terms energy: -114.287390
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -26.574
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -27.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -293.255950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.255950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.255950 (E_RNA)
where:
Base-Base interactions energy: -184.488
where: short stacking energy: -95.984
Base-Backbone interact. energy: -0.147
local terms energy: -108.620563
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -27.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -285.392605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.392605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.392605 (E_RNA)
where:
Base-Base interactions energy: -191.006
where: short stacking energy: -77.884
Base-Backbone interact. energy: -0.410
local terms energy: -93.977007
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -18.610
tors. eta vs tors. theta energy: -13.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -271.969961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.969961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.969961 (E_RNA)
where:
Base-Base interactions energy: -180.959
where: short stacking energy: -76.329
Base-Backbone interact. energy: -0.856
local terms energy: -90.154476
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -157.523014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.523014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.523014 (E_RNA)
where:
Base-Base interactions energy: -73.485
where: short stacking energy: -54.261
Base-Backbone interact. energy: -0.215
local terms energy: -83.822658
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -12.856
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: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -184.826683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.826683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.826683 (E_RNA)
where:
Base-Base interactions energy: -95.641
where: short stacking energy: -52.509
Base-Backbone interact. energy: 0.035
local terms energy: -89.220671
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -22.773
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -124.587208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.587208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.587208 (E_RNA)
where:
Base-Base interactions energy: -49.756
where: short stacking energy: -49.675
Base-Backbone interact. energy: -0.423
local terms energy: -74.408684
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -111.021781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.021781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.021781 (E_RNA)
where:
Base-Base interactions energy: -42.963
where: short stacking energy: -33.318
Base-Backbone interact. energy: 0.243
local terms energy: -68.301934
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -7.794
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -97.476121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.476121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.476121 (E_RNA)
where:
Base-Base interactions energy: -15.711
where: short stacking energy: -14.792
Base-Backbone interact. energy: -0.280
local terms energy: -81.484464
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -26.127
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -16.522
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: 1, replica: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -364.667853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.667853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.667853 (E_RNA)
where:
Base-Base interactions energy: -248.132
where: short stacking energy: -105.864
Base-Backbone interact. energy: -0.012
local terms energy: -116.524067
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -23.956
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -36.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -336.337032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.337032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.337032 (E_RNA)
where:
Base-Base interactions energy: -213.459
where: short stacking energy: -101.500
Base-Backbone interact. energy: -0.071
local terms energy: -122.807235
where:
bonds (distance) C4'-P energy: -28.225
bonds (distance) P-C4' energy: -25.560
flat angles C4'-P-C4' energy: -27.251
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -26.260
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: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -290.079586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.079586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.079586 (E_RNA)
where:
Base-Base interactions energy: -183.701
where: short stacking energy: -91.407
Base-Backbone interact. energy: -0.030
local terms energy: -106.348612
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -23.064
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: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -276.951693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.951693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.951693 (E_RNA)
where:
Base-Base interactions energy: -179.609
where: short stacking energy: -81.839
Base-Backbone interact. energy: -0.509
local terms energy: -96.833372
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -20.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -280.321618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.321618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.321618 (E_RNA)
where:
Base-Base interactions energy: -181.515
where: short stacking energy: -68.883
Base-Backbone interact. energy: -0.566
local terms energy: -98.241057
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -24.117
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -186.703896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.703896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.703896 (E_RNA)
where:
Base-Base interactions energy: -100.732
where: short stacking energy: -56.277
Base-Backbone interact. energy: -0.874
local terms energy: -85.097767
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -10.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -152.503591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.503591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.503591 (E_RNA)
where:
Base-Base interactions energy: -79.167
where: short stacking energy: -41.647
Base-Backbone interact. energy: -0.635
local terms energy: -72.701436
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -9.539
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: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -137.165042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.165042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.165042 (E_RNA)
where:
Base-Base interactions energy: -63.124
where: short stacking energy: -40.197
Base-Backbone interact. energy: -0.776
local terms energy: -73.264684
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -118.174179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.174179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.174179 (E_RNA)
where:
Base-Base interactions energy: -48.825
where: short stacking energy: -35.569
Base-Backbone interact. energy: -0.225
local terms energy: -69.124524
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -125.173956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.173956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.173956 (E_RNA)
where:
Base-Base interactions energy: -49.902
where: short stacking energy: -47.381
Base-Backbone interact. energy: -0.289
local terms energy: -74.982445
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -11.770
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: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -347.696894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.696894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.696894 (E_RNA)
where:
Base-Base interactions energy: -236.724
where: short stacking energy: -104.464
Base-Backbone interact. energy: -0.570
local terms energy: -110.403591
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -27.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -361.303635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.303635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.303635 (E_RNA)
where:
Base-Base interactions energy: -243.541
where: short stacking energy: -102.326
Base-Backbone interact. energy: -0.086
local terms energy: -117.677364
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -31.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -284.732671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.732671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.732671 (E_RNA)
where:
Base-Base interactions energy: -185.606
where: short stacking energy: -82.527
Base-Backbone interact. energy: -0.137
local terms energy: -98.989228
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -265.717628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.717628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.717628 (E_RNA)
where:
Base-Base interactions energy: -172.089
where: short stacking energy: -88.880
Base-Backbone interact. energy: -0.101
local terms energy: -93.527756
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -211.207456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.207456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.207456 (E_RNA)
where:
Base-Base interactions energy: -122.816
where: short stacking energy: -69.148
Base-Backbone interact. energy: 1.055
local terms energy: -89.446163
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -18.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -230.712339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.712339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.712339 (E_RNA)
where:
Base-Base interactions energy: -143.440
where: short stacking energy: -70.631
Base-Backbone interact. energy: -0.787
local terms energy: -86.485710
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -26.284
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -156.366877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.366877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.366877 (E_RNA)
where:
Base-Base interactions energy: -77.392
where: short stacking energy: -49.082
Base-Backbone interact. energy: 0.258
local terms energy: -79.232453
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -161.557305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.557305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.557305 (E_RNA)
where:
Base-Base interactions energy: -74.797
where: short stacking energy: -40.008
Base-Backbone interact. energy: 0.888
local terms energy: -87.647886
where:
bonds (distance) C4'-P energy: -21.731
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -23.794
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -123.417176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.417176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.417176 (E_RNA)
where:
Base-Base interactions energy: -52.225
where: short stacking energy: -39.212
Base-Backbone interact. energy: -0.377
local terms energy: -70.814477
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -113.689419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.689419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.689419 (E_RNA)
where:
Base-Base interactions energy: -35.143
where: short stacking energy: -33.836
Base-Backbone interact. energy: -0.297
local terms energy: -78.248871
where:
bonds (distance) C4'-P energy: -22.789
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -349.697177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.697177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.697177 (E_RNA)
where:
Base-Base interactions energy: -239.782
where: short stacking energy: -109.000
Base-Backbone interact. energy: -0.560
local terms energy: -109.354601
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -23.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -365.958273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.958273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.958273 (E_RNA)
where:
Base-Base interactions energy: -246.034
where: short stacking energy: -100.973
Base-Backbone interact. energy: -0.082
local terms energy: -119.842550
where:
bonds (distance) C4'-P energy: -21.836
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -30.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -306.987613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.987613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.987613 (E_RNA)
where:
Base-Base interactions energy: -193.224
where: short stacking energy: -93.751
Base-Backbone interact. energy: -0.118
local terms energy: -113.645408
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -29.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -283.015712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.015712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.015712 (E_RNA)
where:
Base-Base interactions energy: -191.097
where: short stacking energy: -82.948
Base-Backbone interact. energy: -0.000
local terms energy: -91.918204
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -204.052158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.052158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.052158 (E_RNA)
where:
Base-Base interactions energy: -114.518
where: short stacking energy: -60.829
Base-Backbone interact. energy: -0.617
local terms energy: -88.916521
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -239.835472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.835472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.835472 (E_RNA)
where:
Base-Base interactions energy: -147.586
where: short stacking energy: -76.017
Base-Backbone interact. energy: -0.214
local terms energy: -92.035677
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: -21.331
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: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -158.843290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.843290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.843290 (E_RNA)
where:
Base-Base interactions energy: -83.841
where: short stacking energy: -53.507
Base-Backbone interact. energy: -0.267
local terms energy: -74.734939
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -179.949624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.949624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.949624 (E_RNA)
where:
Base-Base interactions energy: -86.914
where: short stacking energy: -50.652
Base-Backbone interact. energy: -0.172
local terms energy: -92.863947
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: -7.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -116.673376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.673376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.673376 (E_RNA)
where:
Base-Base interactions energy: -44.511
where: short stacking energy: -33.851
Base-Backbone interact. energy: -0.225
local terms energy: -71.937729
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -115.365980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.365980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.365980 (E_RNA)
where:
Base-Base interactions energy: -46.215
where: short stacking energy: -41.537
Base-Backbone interact. energy: 0.241
local terms energy: -69.392147
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -366.626013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.626013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.626013 (E_RNA)
where:
Base-Base interactions energy: -248.612
where: short stacking energy: -104.593
Base-Backbone interact. energy: -0.252
local terms energy: -117.762072
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -32.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -335.475052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.475052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.475052 (E_RNA)
where:
Base-Base interactions energy: -232.488
where: short stacking energy: -95.348
Base-Backbone interact. energy: -0.020
local terms energy: -102.966636
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -23.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -307.852989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.852989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.852989 (E_RNA)
where:
Base-Base interactions energy: -207.228
where: short stacking energy: -100.658
Base-Backbone interact. energy: -0.103
local terms energy: -100.521776
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -23.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -292.595941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.595941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.595941 (E_RNA)
where:
Base-Base interactions energy: -177.612
where: short stacking energy: -92.790
Base-Backbone interact. energy: -0.086
local terms energy: -114.897700
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -23.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -242.241922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.241922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.241922 (E_RNA)
where:
Base-Base interactions energy: -141.873
where: short stacking energy: -67.933
Base-Backbone interact. energy: 0.260
local terms energy: -100.628522
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -24.978
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -209.231847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.231847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.231847 (E_RNA)
where:
Base-Base interactions energy: -117.587
where: short stacking energy: -78.358
Base-Backbone interact. energy: -0.112
local terms energy: -91.533188
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -175.355971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.355971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.355971 (E_RNA)
where:
Base-Base interactions energy: -106.346
where: short stacking energy: -47.703
Base-Backbone interact. energy: 0.761
local terms energy: -69.770820
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -115.262097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.262097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.262097 (E_RNA)
where:
Base-Base interactions energy: -53.015
where: short stacking energy: -41.460
Base-Backbone interact. energy: 2.407
local terms energy: -64.653934
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: 2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -114.100230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.100230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.100230 (E_RNA)
where:
Base-Base interactions energy: -35.412
where: short stacking energy: -32.990
Base-Backbone interact. energy: -0.139
local terms energy: -78.549640
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -110.348891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.348891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.348891 (E_RNA)
where:
Base-Base interactions energy: -45.869
where: short stacking energy: -30.655
Base-Backbone interact. energy: -0.086
local terms energy: -64.393984
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -365.432349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.432349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.432349 (E_RNA)
where:
Base-Base interactions energy: -248.061
where: short stacking energy: -104.546
Base-Backbone interact. energy: -0.125
local terms energy: -117.247119
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -33.915
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: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -339.935814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.935814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.935814 (E_RNA)
where:
Base-Base interactions energy: -230.190
where: short stacking energy: -96.970
Base-Backbone interact. energy: -1.853
local terms energy: -107.892270
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -298.419068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.419068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.419068 (E_RNA)
where:
Base-Base interactions energy: -193.802
where: short stacking energy: -80.565
Base-Backbone interact. energy: -0.303
local terms energy: -104.314229
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -25.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -279.048221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.048221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.048221 (E_RNA)
where:
Base-Base interactions energy: -173.866
where: short stacking energy: -85.438
Base-Backbone interact. energy: -0.035
local terms energy: -105.147700
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -26.193
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -229.455514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.455514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.455514 (E_RNA)
where:
Base-Base interactions energy: -145.357
where: short stacking energy: -71.675
Base-Backbone interact. energy: 0.228
local terms energy: -84.326355
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -191.715039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.715039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.715039 (E_RNA)
where:
Base-Base interactions energy: -108.159
where: short stacking energy: -63.524
Base-Backbone interact. energy: -0.194
local terms energy: -83.362182
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -183.302931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.302931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.302931 (E_RNA)
where:
Base-Base interactions energy: -112.202
where: short stacking energy: -49.144
Base-Backbone interact. energy: -0.525
local terms energy: -70.576165
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -21.448
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -7.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -134.570195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.570195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.570195 (E_RNA)
where:
Base-Base interactions energy: -61.961
where: short stacking energy: -36.596
Base-Backbone interact. energy: -0.380
local terms energy: -72.229077
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -123.548193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.548193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.548193 (E_RNA)
where:
Base-Base interactions energy: -42.213
where: short stacking energy: -40.345
Base-Backbone interact. energy: -0.519
local terms energy: -80.816024
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -12.953
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: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -115.325569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.325569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.325569 (E_RNA)
where:
Base-Base interactions energy: -55.040
where: short stacking energy: -33.459
Base-Backbone interact. energy: 0.110
local terms energy: -60.394954
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -0.967
tors. eta vs tors. theta energy: 0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -366.458726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.458726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.458726 (E_RNA)
where:
Base-Base interactions energy: -247.367
where: short stacking energy: -112.552
Base-Backbone interact. energy: -0.319
local terms energy: -118.772932
where:
bonds (distance) C4'-P energy: -23.494
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -33.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -346.661129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.661129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.661129 (E_RNA)
where:
Base-Base interactions energy: -239.820
where: short stacking energy: -106.869
Base-Backbone interact. energy: 0.357
local terms energy: -107.198229
where:
bonds (distance) C4'-P energy: -22.726
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -25.285
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -23.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -278.722354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.722354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.722354 (E_RNA)
where:
Base-Base interactions energy: -170.324
where: short stacking energy: -86.933
Base-Backbone interact. energy: -0.125
local terms energy: -108.273459
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -25.906
flat angles C4'-P-C4' energy: -25.214
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -22.269
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: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -290.271443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.271443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.271443 (E_RNA)
where:
Base-Base interactions energy: -188.573
where: short stacking energy: -92.149
Base-Backbone interact. energy: -0.209
local terms energy: -101.489689
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -23.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -204.871905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.871905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.871905 (E_RNA)
where:
Base-Base interactions energy: -112.899
where: short stacking energy: -70.516
Base-Backbone interact. energy: 1.252
local terms energy: -93.224578
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -23.683
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -230.510783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.510783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.510783 (E_RNA)
where:
Base-Base interactions energy: -141.923
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.402
local terms energy: -88.186367
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -185.642672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.642672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.642672 (E_RNA)
where:
Base-Base interactions energy: -94.504
where: short stacking energy: -51.050
Base-Backbone interact. energy: -0.970
local terms energy: -90.168296
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -23.414
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -14.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -135.238880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.238880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.238880 (E_RNA)
where:
Base-Base interactions energy: -60.886
where: short stacking energy: -38.999
Base-Backbone interact. energy: 0.078
local terms energy: -74.430127
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -115.758342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.758342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.758342 (E_RNA)
where:
Base-Base interactions energy: -41.788
where: short stacking energy: -40.311
Base-Backbone interact. energy: -0.512
local terms energy: -73.458365
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -101.689904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.689904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.689904 (E_RNA)
where:
Base-Base interactions energy: -39.676
where: short stacking energy: -34.966
Base-Backbone interact. energy: -0.140
local terms energy: -61.874337
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -26.519
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -368.930991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.930991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.930991 (E_RNA)
where:
Base-Base interactions energy: -252.356
where: short stacking energy: -107.823
Base-Backbone interact. energy: -0.046
local terms energy: -116.528948
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -24.580
flat angles C4'-P-C4' energy: -25.961
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -30.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -340.260878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.260878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.260878 (E_RNA)
where:
Base-Base interactions energy: -230.698
where: short stacking energy: -98.881
Base-Backbone interact. energy: 0.222
local terms energy: -109.784902
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -279.714311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.714311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.714311 (E_RNA)
where:
Base-Base interactions energy: -183.903
where: short stacking energy: -72.314
Base-Backbone interact. energy: -0.433
local terms energy: -95.378314
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -290.292795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.292795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.292795 (E_RNA)
where:
Base-Base interactions energy: -195.075
where: short stacking energy: -90.318
Base-Backbone interact. energy: -0.709
local terms energy: -94.508934
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -200.436971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.436971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.436971 (E_RNA)
where:
Base-Base interactions energy: -116.993
where: short stacking energy: -60.852
Base-Backbone interact. energy: -0.220
local terms energy: -83.224144
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -222.129500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.129500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.129500 (E_RNA)
where:
Base-Base interactions energy: -126.786
where: short stacking energy: -55.793
Base-Backbone interact. energy: 0.383
local terms energy: -95.726605
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -11.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -144.034150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.034150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.034150 (E_RNA)
where:
Base-Base interactions energy: -73.434
where: short stacking energy: -37.426
Base-Backbone interact. energy: -0.141
local terms energy: -70.458522
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -12.934
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: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -138.507135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.507135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.507135 (E_RNA)
where:
Base-Base interactions energy: -51.440
where: short stacking energy: -45.861
Base-Backbone interact. energy: -1.368
local terms energy: -85.700041
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -112.246664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.246664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.246664 (E_RNA)
where:
Base-Base interactions energy: -24.770
where: short stacking energy: -24.366
Base-Backbone interact. energy: -0.523
local terms energy: -86.953393
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -25.992
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -110.602468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.602468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.602468 (E_RNA)
where:
Base-Base interactions energy: -36.983
where: short stacking energy: -36.976
Base-Backbone interact. energy: 0.075
local terms energy: -73.693835
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -3.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -374.255135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.255135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.255135 (E_RNA)
where:
Base-Base interactions energy: -254.775
where: short stacking energy: -112.149
Base-Backbone interact. energy: -0.307
local terms energy: -119.173066
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -25.418
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -34.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -338.922745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.922745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.922745 (E_RNA)
where:
Base-Base interactions energy: -228.731
where: short stacking energy: -98.694
Base-Backbone interact. energy: 0.049
local terms energy: -110.240380
where:
bonds (distance) C4'-P energy: -24.073
bonds (distance) P-C4' energy: -25.078
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -25.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -297.600290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.600290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.600290 (E_RNA)
where:
Base-Base interactions energy: -194.849
where: short stacking energy: -84.884
Base-Backbone interact. energy: -0.363
local terms energy: -102.388602
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -24.430
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -20.430
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: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -273.986126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.986126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.986126 (E_RNA)
where:
Base-Base interactions energy: -182.465
where: short stacking energy: -83.890
Base-Backbone interact. energy: 0.034
local terms energy: -91.554963
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -245.816520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.816520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.816520 (E_RNA)
where:
Base-Base interactions energy: -154.706
where: short stacking energy: -71.450
Base-Backbone interact. energy: -0.243
local terms energy: -90.866959
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -194.910734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.910734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.910734 (E_RNA)
where:
Base-Base interactions energy: -101.598
where: short stacking energy: -58.140
Base-Backbone interact. energy: -0.595
local terms energy: -92.717942
where:
bonds (distance) C4'-P energy: -24.442
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -136.547145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.547145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.547145 (E_RNA)
where:
Base-Base interactions energy: -56.151
where: short stacking energy: -56.151
Base-Backbone interact. energy: -0.131
local terms energy: -80.264578
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -11.658
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: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -178.093360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.093360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.093360 (E_RNA)
where:
Base-Base interactions energy: -94.009
where: short stacking energy: -53.229
Base-Backbone interact. energy: 0.508
local terms energy: -84.593083
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -121.729344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.729344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.729344 (E_RNA)
where:
Base-Base interactions energy: -48.541
where: short stacking energy: -39.563
Base-Backbone interact. energy: -0.161
local terms energy: -73.028174
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -7.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -102.093753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.093753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.093753 (E_RNA)
where:
Base-Base interactions energy: -33.947
where: short stacking energy: -33.836
Base-Backbone interact. energy: -0.105
local terms energy: -68.041969
where:
bonds (distance) C4'-P energy: -22.030
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -5.271
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: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -382.290410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.290410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.290410 (E_RNA)
where:
Base-Base interactions energy: -262.834
where: short stacking energy: -111.876
Base-Backbone interact. energy: -0.042
local terms energy: -119.414525
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -28.120
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -34.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -341.925549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.925549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.925549 (E_RNA)
where:
Base-Base interactions energy: -235.440
where: short stacking energy: -92.704
Base-Backbone interact. energy: -0.202
local terms energy: -106.283659
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -17.525
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -302.200913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.200913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.200913 (E_RNA)
where:
Base-Base interactions energy: -189.194
where: short stacking energy: -98.195
Base-Backbone interact. energy: -0.031
local terms energy: -112.975907
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -25.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -271.404940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.404940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.404940 (E_RNA)
where:
Base-Base interactions energy: -182.461
where: short stacking energy: -79.395
Base-Backbone interact. energy: 0.413
local terms energy: -89.356813
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -241.285394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.285394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.285394 (E_RNA)
where:
Base-Base interactions energy: -152.377
where: short stacking energy: -72.340
Base-Backbone interact. energy: -1.449
local terms energy: -87.459158
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -197.938214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.938214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.938214 (E_RNA)
where:
Base-Base interactions energy: -108.979
where: short stacking energy: -66.797
Base-Backbone interact. energy: 0.159
local terms energy: -89.118389
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -26.080
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -9.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -203.918027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.918027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.918027 (E_RNA)
where:
Base-Base interactions energy: -120.781
where: short stacking energy: -66.132
Base-Backbone interact. energy: -0.279
local terms energy: -82.858475
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -179.092597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.092597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.092597 (E_RNA)
where:
Base-Base interactions energy: -102.705
where: short stacking energy: -57.965
Base-Backbone interact. energy: -0.565
local terms energy: -75.822683
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -126.166524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.166524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.166524 (E_RNA)
where:
Base-Base interactions energy: -55.293
where: short stacking energy: -30.935
Base-Backbone interact. energy: -0.268
local terms energy: -70.604957
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -107.322145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.322145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.322145 (E_RNA)
where:
Base-Base interactions energy: -40.286
where: short stacking energy: -40.134
Base-Backbone interact. energy: -0.309
local terms energy: -66.726218
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -375.613360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.613360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.613360 (E_RNA)
where:
Base-Base interactions energy: -258.579
where: short stacking energy: -117.955
Base-Backbone interact. energy: 0.212
local terms energy: -117.246964
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -35.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -346.928610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.928610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.928610 (E_RNA)
where:
Base-Base interactions energy: -232.202
where: short stacking energy: -89.372
Base-Backbone interact. energy: -0.414
local terms energy: -114.312408
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -24.395
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -24.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -294.257140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.257140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.257140 (E_RNA)
where:
Base-Base interactions energy: -186.853
where: short stacking energy: -100.846
Base-Backbone interact. energy: -0.018
local terms energy: -107.386243
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -26.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -292.222972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.222972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.222972 (E_RNA)
where:
Base-Base interactions energy: -188.476
where: short stacking energy: -82.100
Base-Backbone interact. energy: -0.738
local terms energy: -103.008985
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -244.939298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.939298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.939298 (E_RNA)
where:
Base-Base interactions energy: -150.379
where: short stacking energy: -61.702
Base-Backbone interact. energy: -0.194
local terms energy: -94.366718
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -25.771
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -10.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -222.540532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.540532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.540532 (E_RNA)
where:
Base-Base interactions energy: -128.859
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.259
local terms energy: -93.422352
where:
bonds (distance) C4'-P energy: -24.254
bonds (distance) P-C4' energy: -26.199
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -12.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -186.267193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.267193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.267193 (E_RNA)
where:
Base-Base interactions energy: -108.719
where: short stacking energy: -59.020
Base-Backbone interact. energy: -0.489
local terms energy: -77.058894
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -196.235420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.235420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.235420 (E_RNA)
where:
Base-Base interactions energy: -123.341
where: short stacking energy: -60.088
Base-Backbone interact. energy: -0.228
local terms energy: -72.666727
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -5.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -133.079179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.079179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.079179 (E_RNA)
where:
Base-Base interactions energy: -47.475
where: short stacking energy: -46.611
Base-Backbone interact. energy: -0.301
local terms energy: -85.303103
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -106.192407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.192407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.192407 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -30.046
Base-Backbone interact. energy: -0.408
local terms energy: -71.543724
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -26.688
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -367.420767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.420767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.420767 (E_RNA)
where:
Base-Base interactions energy: -250.807
where: short stacking energy: -105.098
Base-Backbone interact. energy: -0.091
local terms energy: -116.522951
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -25.152
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -33.612
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: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -337.633460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.633460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.633460 (E_RNA)
where:
Base-Base interactions energy: -221.837
where: short stacking energy: -103.689
Base-Backbone interact. energy: -0.463
local terms energy: -115.332752
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -25.772
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -26.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -314.815315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.815315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.815315 (E_RNA)
where:
Base-Base interactions energy: -210.678
where: short stacking energy: -112.088
Base-Backbone interact. energy: 1.488
local terms energy: -105.625454
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -27.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -301.372745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.372745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.372745 (E_RNA)
where:
Base-Base interactions energy: -195.816
where: short stacking energy: -90.553
Base-Backbone interact. energy: -1.816
local terms energy: -103.741177
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -23.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -232.150031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.150031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.150031 (E_RNA)
where:
Base-Base interactions energy: -141.393
where: short stacking energy: -79.364
Base-Backbone interact. energy: -0.406
local terms energy: -90.350487
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -25.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -189.229492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.229492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.229492 (E_RNA)
where:
Base-Base interactions energy: -99.760
where: short stacking energy: -61.779
Base-Backbone interact. energy: -0.055
local terms energy: -89.414234
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -189.946801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.946801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.946801 (E_RNA)
where:
Base-Base interactions energy: -100.802
where: short stacking energy: -59.432
Base-Backbone interact. energy: -1.253
local terms energy: -87.891656
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -7.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -131.580098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.580098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.580098 (E_RNA)
where:
Base-Base interactions energy: -61.629
where: short stacking energy: -38.831
Base-Backbone interact. energy: -0.264
local terms energy: -69.687604
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -204.358820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.358820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.358820 (E_RNA)
where:
Base-Base interactions energy: -110.203
where: short stacking energy: -66.358
Base-Backbone interact. energy: -0.763
local terms energy: -93.392901
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -129.346827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.346827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.346827 (E_RNA)
where:
Base-Base interactions energy: -60.547
where: short stacking energy: -32.764
Base-Backbone interact. energy: 0.341
local terms energy: -69.141119
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -362.305099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.305099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.305099 (E_RNA)
where:
Base-Base interactions energy: -243.385
where: short stacking energy: -105.233
Base-Backbone interact. energy: -0.017
local terms energy: -118.902531
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -35.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -338.198010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.198010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.198010 (E_RNA)
where:
Base-Base interactions energy: -227.513
where: short stacking energy: -94.111
Base-Backbone interact. energy: -0.186
local terms energy: -110.498611
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -26.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -312.731005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.731005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.731005 (E_RNA)
where:
Base-Base interactions energy: -209.020
where: short stacking energy: -93.419
Base-Backbone interact. energy: -0.018
local terms energy: -103.693533
where:
bonds (distance) C4'-P energy: -24.442
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -23.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -292.130456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.130456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.130456 (E_RNA)
where:
Base-Base interactions energy: -191.035
where: short stacking energy: -86.453
Base-Backbone interact. energy: -0.181
local terms energy: -100.914465
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -25.327
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -250.144741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.144741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.144741 (E_RNA)
where:
Base-Base interactions energy: -158.147
where: short stacking energy: -71.275
Base-Backbone interact. energy: 1.068
local terms energy: -93.065324
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -193.890635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.890635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.890635 (E_RNA)
where:
Base-Base interactions energy: -100.176
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.117
local terms energy: -93.597210
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -198.927831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.927831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.927831 (E_RNA)
where:
Base-Base interactions energy: -109.880
where: short stacking energy: -65.591
Base-Backbone interact. energy: -1.074
local terms energy: -87.974104
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -23.003
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -125.155010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.155010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.155010 (E_RNA)
where:
Base-Base interactions energy: -45.804
where: short stacking energy: -36.049
Base-Backbone interact. energy: -0.179
local terms energy: -79.172041
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -0.708
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: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -205.666967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.666967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.666967 (E_RNA)
where:
Base-Base interactions energy: -119.679
where: short stacking energy: -56.338
Base-Backbone interact. energy: -0.096
local terms energy: -85.891614
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -24.936
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -115.589721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.589721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.589721 (E_RNA)
where:
Base-Base interactions energy: -40.367
where: short stacking energy: -40.093
Base-Backbone interact. energy: -0.162
local terms energy: -75.060528
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -20.149
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -9.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -373.030106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.030106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.030106 (E_RNA)
where:
Base-Base interactions energy: -245.074
where: short stacking energy: -105.484
Base-Backbone interact. energy: -0.432
local terms energy: -127.523614
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -34.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -339.445401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.445401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.445401 (E_RNA)
where:
Base-Base interactions energy: -225.488
where: short stacking energy: -92.166
Base-Backbone interact. energy: -0.132
local terms energy: -113.824947
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -27.464
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -304.233450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.233450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.233450 (E_RNA)
where:
Base-Base interactions energy: -197.037
where: short stacking energy: -88.605
Base-Backbone interact. energy: -0.192
local terms energy: -107.004599
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -297.700765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.700765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.700765 (E_RNA)
where:
Base-Base interactions energy: -199.070
where: short stacking energy: -86.794
Base-Backbone interact. energy: -0.607
local terms energy: -98.023518
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -24.404
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -24.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -237.496653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.496653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.496653 (E_RNA)
where:
Base-Base interactions energy: -147.545
where: short stacking energy: -61.830
Base-Backbone interact. energy: -2.425
local terms energy: -87.526078
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -192.273824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.273824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.273824 (E_RNA)
where:
Base-Base interactions energy: -100.797
where: short stacking energy: -64.208
Base-Backbone interact. energy: -0.021
local terms energy: -91.455559
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -26.679
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -13.214
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: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -174.966346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.966346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.966346 (E_RNA)
where:
Base-Base interactions energy: -95.334
where: short stacking energy: -43.611
Base-Backbone interact. energy: -0.349
local terms energy: -79.283618
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -200.081906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.081906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.081906 (E_RNA)
where:
Base-Base interactions energy: -120.477
where: short stacking energy: -59.584
Base-Backbone interact. energy: -0.202
local terms energy: -79.403013
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -124.250296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.250296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.250296 (E_RNA)
where:
Base-Base interactions energy: -58.238
where: short stacking energy: -46.863
Base-Backbone interact. energy: 0.858
local terms energy: -66.870146
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: 0.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -119.917689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.917689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.917689 (E_RNA)
where:
Base-Base interactions energy: -32.117
where: short stacking energy: -32.117
Base-Backbone interact. energy: 0.052
local terms energy: -87.852884
where:
bonds (distance) C4'-P energy: -22.779
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -373.273401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.273401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.273401 (E_RNA)
where:
Base-Base interactions energy: -250.773
where: short stacking energy: -112.200
Base-Backbone interact. energy: 0.302
local terms energy: -122.803225
where:
bonds (distance) C4'-P energy: -24.003
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -34.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -342.689568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.689568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.689568 (E_RNA)
where:
Base-Base interactions energy: -233.639
where: short stacking energy: -93.651
Base-Backbone interact. energy: -0.790
local terms energy: -108.260836
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -25.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -310.739112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.739112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.739112 (E_RNA)
where:
Base-Base interactions energy: -202.053
where: short stacking energy: -87.940
Base-Backbone interact. energy: -0.693
local terms energy: -107.993559
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -25.845
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -20.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -295.113502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.113502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.113502 (E_RNA)
where:
Base-Base interactions energy: -182.987
where: short stacking energy: -77.483
Base-Backbone interact. energy: -2.826
local terms energy: -109.299923
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -26.202
flat angles C4'-P-C4' energy: -26.035
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -242.833048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.833048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.833048 (E_RNA)
where:
Base-Base interactions energy: -149.557
where: short stacking energy: -77.707
Base-Backbone interact. energy: -0.175
local terms energy: -93.100803
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -217.663927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.663927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.663927 (E_RNA)
where:
Base-Base interactions energy: -126.360
where: short stacking energy: -67.496
Base-Backbone interact. energy: -0.082
local terms energy: -91.222382
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -254.576157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.576157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.576157 (E_RNA)
where:
Base-Base interactions energy: -182.373
where: short stacking energy: -70.865
Base-Backbone interact. energy: -0.596
local terms energy: -71.607958
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -126.911899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.911899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.911899 (E_RNA)
where:
Base-Base interactions energy: -45.959
where: short stacking energy: -45.959
Base-Backbone interact. energy: -0.202
local terms energy: -80.750559
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -124.022859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.022859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.022859 (E_RNA)
where:
Base-Base interactions energy: -51.255
where: short stacking energy: -44.285
Base-Backbone interact. energy: 0.739
local terms energy: -73.506428
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: 0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -113.585431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.585431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.585431 (E_RNA)
where:
Base-Base interactions energy: -42.634
where: short stacking energy: -38.830
Base-Backbone interact. energy: -0.330
local terms energy: -70.621835
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -370.623812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.623812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.623812 (E_RNA)
where:
Base-Base interactions energy: -253.504
where: short stacking energy: -107.490
Base-Backbone interact. energy: -0.638
local terms energy: -116.482266
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -24.013
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -35.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -333.283657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.283657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.283657 (E_RNA)
where:
Base-Base interactions energy: -228.892
where: short stacking energy: -87.275
Base-Backbone interact. energy: -0.355
local terms energy: -104.036915
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -312.552391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.552391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.552391 (E_RNA)
where:
Base-Base interactions energy: -215.562
where: short stacking energy: -84.268
Base-Backbone interact. energy: 0.374
local terms energy: -97.364717
where:
bonds (distance) C4'-P energy: -22.960
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -306.390621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.390621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.390621 (E_RNA)
where:
Base-Base interactions energy: -207.881
where: short stacking energy: -90.548
Base-Backbone interact. energy: -0.386
local terms energy: -98.123646
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -24.304
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -23.222
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: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -226.420952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.420952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.420952 (E_RNA)
where:
Base-Base interactions energy: -132.639
where: short stacking energy: -77.480
Base-Backbone interact. energy: -0.607
local terms energy: -93.174886
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -24.250
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -19.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -285.498473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.498473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.498473 (E_RNA)
where:
Base-Base interactions energy: -193.333
where: short stacking energy: -86.488
Base-Backbone interact. energy: -0.308
local terms energy: -91.857390
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -192.603605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.603605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.603605 (E_RNA)
where:
Base-Base interactions energy: -97.148
where: short stacking energy: -51.694
Base-Backbone interact. energy: 0.770
local terms energy: -96.225065
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -123.130896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.130896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.130896 (E_RNA)
where:
Base-Base interactions energy: -49.143
where: short stacking energy: -43.287
Base-Backbone interact. energy: -0.887
local terms energy: -73.101374
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -21.920
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -125.082305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.082305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.082305 (E_RNA)
where:
Base-Base interactions energy: -48.414
where: short stacking energy: -45.275
Base-Backbone interact. energy: 1.801
local terms energy: -78.468625
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -108.921550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.921550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.921550 (E_RNA)
where:
Base-Base interactions energy: -38.748
where: short stacking energy: -38.748
Base-Backbone interact. energy: -0.206
local terms energy: -69.967380
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -3.652
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: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -369.267524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.267524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.267524 (E_RNA)
where:
Base-Base interactions energy: -249.063
where: short stacking energy: -109.976
Base-Backbone interact. energy: -0.133
local terms energy: -120.071380
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -24.870
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -33.462
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: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -322.092982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.092982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.092982 (E_RNA)
where:
Base-Base interactions energy: -214.145
where: short stacking energy: -95.063
Base-Backbone interact. energy: -1.728
local terms energy: -106.219895
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -301.008637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.008637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.008637 (E_RNA)
where:
Base-Base interactions energy: -189.993
where: short stacking energy: -81.682
Base-Backbone interact. energy: -0.193
local terms energy: -110.822146
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -25.419
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -21.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -313.102594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.102594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.102594 (E_RNA)
where:
Base-Base interactions energy: -216.006
where: short stacking energy: -83.530
Base-Backbone interact. energy: -0.517
local terms energy: -96.579179
where:
bonds (distance) C4'-P energy: -20.020
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -308.506427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.506427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.506427 (E_RNA)
where:
Base-Base interactions energy: -220.310
where: short stacking energy: -86.846
Base-Backbone interact. energy: 1.042
local terms energy: -89.238329
where:
bonds (distance) C4'-P energy: -26.371
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -240.854850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.854850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.854850 (E_RNA)
where:
Base-Base interactions energy: -149.152
where: short stacking energy: -83.174
Base-Backbone interact. energy: -0.053
local terms energy: -91.650166
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -23.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -151.789753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.789753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.789753 (E_RNA)
where:
Base-Base interactions energy: -54.306
where: short stacking energy: -55.554
Base-Backbone interact. energy: 0.458
local terms energy: -97.941434
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -24.159
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -111.155567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.155567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.155567 (E_RNA)
where:
Base-Base interactions energy: -39.314
where: short stacking energy: -39.314
Base-Backbone interact. energy: -0.277
local terms energy: -71.564629
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -104.840247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.840247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.840247 (E_RNA)
where:
Base-Base interactions energy: -32.894
where: short stacking energy: -32.994
Base-Backbone interact. energy: -0.434
local terms energy: -71.512908
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -111.371630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.371630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.371630 (E_RNA)
where:
Base-Base interactions energy: -39.908
where: short stacking energy: -24.574
Base-Backbone interact. energy: -0.256
local terms energy: -71.207453
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -0.395
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: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -370.643125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.643125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.643125 (E_RNA)
where:
Base-Base interactions energy: -242.438
where: short stacking energy: -107.877
Base-Backbone interact. energy: -0.730
local terms energy: -127.475007
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -34.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -329.145819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.145819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.145819 (E_RNA)
where:
Base-Base interactions energy: -230.996
where: short stacking energy: -89.575
Base-Backbone interact. energy: -1.382
local terms energy: -96.767776
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -24.530
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -316.431971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.431971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.431971 (E_RNA)
where:
Base-Base interactions energy: -216.753
where: short stacking energy: -92.983
Base-Backbone interact. energy: -0.459
local terms energy: -99.219103
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -24.111
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -23.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -308.645456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.645456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.645456 (E_RNA)
where:
Base-Base interactions energy: -212.383
where: short stacking energy: -79.689
Base-Backbone interact. energy: -1.314
local terms energy: -94.948954
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -313.205368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.205368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.205368 (E_RNA)
where:
Base-Base interactions energy: -208.386
where: short stacking energy: -89.444
Base-Backbone interact. energy: -0.635
local terms energy: -104.184140
where:
bonds (distance) C4'-P energy: -22.130
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -24.761
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -25.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -241.051581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.051581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.051581 (E_RNA)
where:
Base-Base interactions energy: -145.152
where: short stacking energy: -74.405
Base-Backbone interact. energy: -1.270
local terms energy: -94.629828
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -22.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -145.796971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.796971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.796971 (E_RNA)
where:
Base-Base interactions energy: -63.527
where: short stacking energy: -44.575
Base-Backbone interact. energy: -1.039
local terms energy: -81.231546
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -146.871477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.871477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.871477 (E_RNA)
where:
Base-Base interactions energy: -72.405
where: short stacking energy: -45.194
Base-Backbone interact. energy: 0.541
local terms energy: -75.006985
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -19.722
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -9.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -117.549659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.549659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.549659 (E_RNA)
where:
Base-Base interactions energy: -47.991
where: short stacking energy: -47.056
Base-Backbone interact. energy: 0.665
local terms energy: -70.224429
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -11.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -109.816601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.816601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.816601 (E_RNA)
where:
Base-Base interactions energy: -40.210
where: short stacking energy: -40.277
Base-Backbone interact. energy: -0.166
local terms energy: -69.440184
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -24.075
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: 1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -378.538430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.538430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.538430 (E_RNA)
where:
Base-Base interactions energy: -254.464
where: short stacking energy: -114.146
Base-Backbone interact. energy: 0.544
local terms energy: -124.618952
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -25.461
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -34.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -349.082538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.082538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.082538 (E_RNA)
where:
Base-Base interactions energy: -241.833
where: short stacking energy: -90.782
Base-Backbone interact. energy: -0.977
local terms energy: -106.273143
where:
bonds (distance) C4'-P energy: -25.497
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -307.671903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.671903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.671903 (E_RNA)
where:
Base-Base interactions energy: -186.711
where: short stacking energy: -96.869
Base-Backbone interact. energy: -0.097
local terms energy: -120.863449
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -23.850
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -26.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -290.294119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.294119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.294119 (E_RNA)
where:
Base-Base interactions energy: -192.450
where: short stacking energy: -83.558
Base-Backbone interact. energy: -0.655
local terms energy: -97.189199
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -302.297675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.297675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.297675 (E_RNA)
where:
Base-Base interactions energy: -199.849
where: short stacking energy: -84.290
Base-Backbone interact. energy: -0.532
local terms energy: -101.916922
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -249.581875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.581875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.581875 (E_RNA)
where:
Base-Base interactions energy: -154.445
where: short stacking energy: -77.036
Base-Backbone interact. energy: -0.502
local terms energy: -94.634777
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -22.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -128.839116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.839116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.839116 (E_RNA)
where:
Base-Base interactions energy: -50.865
where: short stacking energy: -38.111
Base-Backbone interact. energy: -1.065
local terms energy: -76.909026
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -127.330341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.330341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.330341 (E_RNA)
where:
Base-Base interactions energy: -53.829
where: short stacking energy: -53.646
Base-Backbone interact. energy: -0.121
local terms energy: -73.380157
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -8.875
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: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -114.790883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.790883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.790883 (E_RNA)
where:
Base-Base interactions energy: -45.293
where: short stacking energy: -37.497
Base-Backbone interact. energy: -0.358
local terms energy: -69.139719
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -111.121575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.121575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.121575 (E_RNA)
where:
Base-Base interactions energy: -48.118
where: short stacking energy: -43.865
Base-Backbone interact. energy: -0.215
local terms energy: -62.788510
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -4.422
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: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -370.685336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.685336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.685336 (E_RNA)
where:
Base-Base interactions energy: -254.542
where: short stacking energy: -111.537
Base-Backbone interact. energy: -0.099
local terms energy: -116.045023
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -28.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -331.984959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.984959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.984959 (E_RNA)
where:
Base-Base interactions energy: -235.989
where: short stacking energy: -89.029
Base-Backbone interact. energy: -0.704
local terms energy: -95.292083
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -293.441338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.441338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.441338 (E_RNA)
where:
Base-Base interactions energy: -187.769
where: short stacking energy: -92.643
Base-Backbone interact. energy: -0.696
local terms energy: -104.975903
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -27.487
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: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -323.878156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.878156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.878156 (E_RNA)
where:
Base-Base interactions energy: -223.850
where: short stacking energy: -106.904
Base-Backbone interact. energy: -0.813
local terms energy: -99.215574
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -24.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -289.910997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.910997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.910997 (E_RNA)
where:
Base-Base interactions energy: -192.298
where: short stacking energy: -75.740
Base-Backbone interact. energy: -0.154
local terms energy: -97.458940
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -14.553
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: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -261.358321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.358321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.358321 (E_RNA)
where:
Base-Base interactions energy: -157.894
where: short stacking energy: -89.331
Base-Backbone interact. energy: -0.130
local terms energy: -103.333888
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -29.382
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: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -132.392367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.392367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.392367 (E_RNA)
where:
Base-Base interactions energy: -61.579
where: short stacking energy: -43.293
Base-Backbone interact. energy: -0.245
local terms energy: -70.568632
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -114.307100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.307100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.307100 (E_RNA)
where:
Base-Base interactions energy: -52.884
where: short stacking energy: -38.778
Base-Backbone interact. energy: 0.059
local terms energy: -61.482496
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: 2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -126.971974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.971974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.971974 (E_RNA)
where:
Base-Base interactions energy: -57.583
where: short stacking energy: -41.308
Base-Backbone interact. energy: -0.345
local terms energy: -69.044390
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -109.619482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.619482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.619482 (E_RNA)
where:
Base-Base interactions energy: -37.959
where: short stacking energy: -33.692
Base-Backbone interact. energy: -0.626
local terms energy: -71.034709
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -359.326503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.326503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.326503 (E_RNA)
where:
Base-Base interactions energy: -234.525
where: short stacking energy: -105.996
Base-Backbone interact. energy: -0.010
local terms energy: -124.791274
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -34.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -340.931074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.931074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.931074 (E_RNA)
where:
Base-Base interactions energy: -225.185
where: short stacking energy: -100.663
Base-Backbone interact. energy: -0.019
local terms energy: -115.726834
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -24.531
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -24.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -303.128899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.128899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.128899 (E_RNA)
where:
Base-Base interactions energy: -191.697
where: short stacking energy: -89.108
Base-Backbone interact. energy: -0.517
local terms energy: -110.915274
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -25.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -319.361853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.361853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.361853 (E_RNA)
where:
Base-Base interactions energy: -212.465
where: short stacking energy: -94.370
Base-Backbone interact. energy: -0.233
local terms energy: -106.664431
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -28.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -283.352400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.352400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.352400 (E_RNA)
where:
Base-Base interactions energy: -186.287
where: short stacking energy: -82.378
Base-Backbone interact. energy: -0.148
local terms energy: -96.916661
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -233.422929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.422929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.422929 (E_RNA)
where:
Base-Base interactions energy: -147.545
where: short stacking energy: -77.179
Base-Backbone interact. energy: -0.126
local terms energy: -85.752094
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -147.053371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.053371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.053371 (E_RNA)
where:
Base-Base interactions energy: -67.493
where: short stacking energy: -56.063
Base-Backbone interact. energy: -0.147
local terms energy: -79.413138
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -135.582043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.582043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.582043 (E_RNA)
where:
Base-Base interactions energy: -53.595
where: short stacking energy: -45.801
Base-Backbone interact. energy: -0.969
local terms energy: -81.018653
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -117.733503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.733503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.733503 (E_RNA)
where:
Base-Base interactions energy: -38.916
where: short stacking energy: -29.787
Base-Backbone interact. energy: -0.179
local terms energy: -78.638336
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: 1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -110.849825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.849825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.849825 (E_RNA)
where:
Base-Base interactions energy: -41.905
where: short stacking energy: -17.592
Base-Backbone interact. energy: 0.840
local terms energy: -69.785208
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: 3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -360.185239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.185239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.185239 (E_RNA)
where:
Base-Base interactions energy: -236.260
where: short stacking energy: -107.027
Base-Backbone interact. energy: -0.090
local terms energy: -123.834826
where:
bonds (distance) C4'-P energy: -21.747
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -25.952
flat angles P-C4'-P energy: -20.609
tors. eta vs tors. theta energy: -33.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -349.875097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.875097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.875097 (E_RNA)
where:
Base-Base interactions energy: -239.917
where: short stacking energy: -109.072
Base-Backbone interact. energy: -0.087
local terms energy: -109.871137
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -24.946
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -26.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -295.473525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.473525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.473525 (E_RNA)
where:
Base-Base interactions energy: -185.037
where: short stacking energy: -93.341
Base-Backbone interact. energy: -0.092
local terms energy: -110.344331
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -28.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -305.689702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.689702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.689702 (E_RNA)
where:
Base-Base interactions energy: -199.419
where: short stacking energy: -81.716
Base-Backbone interact. energy: -0.088
local terms energy: -106.182420
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -21.405
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -254.796248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.796248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.796248 (E_RNA)
where:
Base-Base interactions energy: -160.919
where: short stacking energy: -76.056
Base-Backbone interact. energy: -0.776
local terms energy: -93.101136
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -243.874518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.874518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.874518 (E_RNA)
where:
Base-Base interactions energy: -151.337
where: short stacking energy: -76.600
Base-Backbone interact. energy: -0.134
local terms energy: -92.403007
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -127.165207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.165207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.165207 (E_RNA)
where:
Base-Base interactions energy: -54.733
where: short stacking energy: -50.981
Base-Backbone interact. energy: -0.216
local terms energy: -72.216072
where:
bonds (distance) C4'-P energy: -23.770
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -11.921
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: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -135.240286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.240286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.240286 (E_RNA)
where:
Base-Base interactions energy: -59.220
where: short stacking energy: -40.688
Base-Backbone interact. energy: -0.883
local terms energy: -75.137667
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -112.380189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.380189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.380189 (E_RNA)
where:
Base-Base interactions energy: -38.525
where: short stacking energy: -39.047
Base-Backbone interact. energy: 0.289
local terms energy: -74.144179
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: 1.181
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: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -125.370997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.370997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.370997 (E_RNA)
where:
Base-Base interactions energy: -46.230
where: short stacking energy: -35.500
Base-Backbone interact. energy: -0.336
local terms energy: -78.804978
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -342.174571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.174571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.174571 (E_RNA)
where:
Base-Base interactions energy: -236.424
where: short stacking energy: -106.558
Base-Backbone interact. energy: -0.246
local terms energy: -105.504522
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -24.129
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -23.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -365.040416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.040416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.040416 (E_RNA)
where:
Base-Base interactions energy: -254.144
where: short stacking energy: -112.954
Base-Backbone interact. energy: -0.069
local terms energy: -110.827954
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -35.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -315.873801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.873801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.873801 (E_RNA)
where:
Base-Base interactions energy: -202.361
where: short stacking energy: -91.969
Base-Backbone interact. energy: -0.075
local terms energy: -113.437648
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -24.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -294.480417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.480417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.480417 (E_RNA)
where:
Base-Base interactions energy: -181.629
where: short stacking energy: -92.879
Base-Backbone interact. energy: -1.258
local terms energy: -111.593483
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -26.972
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -26.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -265.570595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.570595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.570595 (E_RNA)
where:
Base-Base interactions energy: -166.695
where: short stacking energy: -81.730
Base-Backbone interact. energy: -0.748
local terms energy: -98.127497
where:
bonds (distance) C4'-P energy: -22.262
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -19.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -230.909672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.909672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.909672 (E_RNA)
where:
Base-Base interactions energy: -137.954
where: short stacking energy: -62.198
Base-Backbone interact. energy: -0.783
local terms energy: -92.172683
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -135.476703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.476703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.476703 (E_RNA)
where:
Base-Base interactions energy: -59.747
where: short stacking energy: -37.058
Base-Backbone interact. energy: -0.397
local terms energy: -75.332596
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -115.233095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.233095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.233095 (E_RNA)
where:
Base-Base interactions energy: -41.582
where: short stacking energy: -41.582
Base-Backbone interact. energy: -0.421
local terms energy: -73.230638
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -4.371
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: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -117.543755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.543755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.543755 (E_RNA)
where:
Base-Base interactions energy: -50.700
where: short stacking energy: -45.907
Base-Backbone interact. energy: -0.277
local terms energy: -66.566329
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: 0.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -106.382597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.382597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.382597 (E_RNA)
where:
Base-Base interactions energy: -30.615
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.687
local terms energy: -75.081025
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: 2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -342.910170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.910170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.910170 (E_RNA)
where:
Base-Base interactions energy: -228.383
where: short stacking energy: -89.267
Base-Backbone interact. energy: -0.006
local terms energy: -114.520902
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -24.936
flat angles C4'-P-C4' energy: -24.813
flat angles P-C4'-P energy: -21.468
tors. eta vs tors. theta energy: -24.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -344.005314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.005314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.005314 (E_RNA)
where:
Base-Base interactions energy: -231.035
where: short stacking energy: -105.497
Base-Backbone interact. energy: -0.379
local terms energy: -112.592080
where:
bonds (distance) C4'-P energy: -23.376
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -30.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -354.117460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.117460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.117460 (E_RNA)
where:
Base-Base interactions energy: -234.341
where: short stacking energy: -109.594
Base-Backbone interact. energy: -0.217
local terms energy: -119.560312
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -20.326
tors. eta vs tors. theta energy: -35.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -268.461472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.461472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.461472 (E_RNA)
where:
Base-Base interactions energy: -167.769
where: short stacking energy: -76.684
Base-Backbone interact. energy: -0.364
local terms energy: -100.328257
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -25.720
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -281.249102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.249102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.249102 (E_RNA)
where:
Base-Base interactions energy: -179.645
where: short stacking energy: -88.147
Base-Backbone interact. energy: -0.498
local terms energy: -101.105483
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -21.184
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -24.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -225.468064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.468064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.468064 (E_RNA)
where:
Base-Base interactions energy: -131.155
where: short stacking energy: -71.036
Base-Backbone interact. energy: -1.412
local terms energy: -92.900715
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -150.981731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.981731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.981731 (E_RNA)
where:
Base-Base interactions energy: -66.339
where: short stacking energy: -51.464
Base-Backbone interact. energy: -0.270
local terms energy: -84.372808
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -15.469
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: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -120.426461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.426461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.426461 (E_RNA)
where:
Base-Base interactions energy: -45.383
where: short stacking energy: -34.331
Base-Backbone interact. energy: 0.316
local terms energy: -75.359117
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -24.369
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -121.448585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.448585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.448585 (E_RNA)
where:
Base-Base interactions energy: -47.214
where: short stacking energy: -41.172
Base-Backbone interact. energy: -0.173
local terms energy: -74.061544
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -109.817747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.817747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.817747 (E_RNA)
where:
Base-Base interactions energy: -42.668
where: short stacking energy: -38.840
Base-Backbone interact. energy: -0.167
local terms energy: -66.982119
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -357.730075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.730075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.730075 (E_RNA)
where:
Base-Base interactions energy: -241.188
where: short stacking energy: -115.042
Base-Backbone interact. energy: -0.393
local terms energy: -116.149332
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -27.434
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -25.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -317.923077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.923077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.923077 (E_RNA)
where:
Base-Base interactions energy: -211.613
where: short stacking energy: -105.678
Base-Backbone interact. energy: -0.660
local terms energy: -105.650334
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -30.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -356.231135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.231135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.231135 (E_RNA)
where:
Base-Base interactions energy: -238.067
where: short stacking energy: -103.885
Base-Backbone interact. energy: -0.041
local terms energy: -118.123358
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -35.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -265.102260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.102260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.102260 (E_RNA)
where:
Base-Base interactions energy: -177.653
where: short stacking energy: -88.976
Base-Backbone interact. energy: -0.698
local terms energy: -86.750920
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -21.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -248.098866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.098866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.098866 (E_RNA)
where:
Base-Base interactions energy: -153.800
where: short stacking energy: -76.356
Base-Backbone interact. energy: 0.683
local terms energy: -94.982094
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -263.245503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.245503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.245503 (E_RNA)
where:
Base-Base interactions energy: -174.997
where: short stacking energy: -79.390
Base-Backbone interact. energy: 0.106
local terms energy: -88.354049
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -142.709097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.709097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.709097 (E_RNA)
where:
Base-Base interactions energy: -56.376
where: short stacking energy: -49.953
Base-Backbone interact. energy: -0.545
local terms energy: -85.788607
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -9.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -139.836687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.836687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.836687 (E_RNA)
where:
Base-Base interactions energy: -54.096
where: short stacking energy: -41.096
Base-Backbone interact. energy: -1.095
local terms energy: -84.646504
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -25.667
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -7.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -116.034715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.034715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.034715 (E_RNA)
where:
Base-Base interactions energy: -50.095
where: short stacking energy: -32.149
Base-Backbone interact. energy: -0.634
local terms energy: -65.305619
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -102.800390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.800390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.800390 (E_RNA)
where:
Base-Base interactions energy: -35.236
where: short stacking energy: -30.649
Base-Backbone interact. energy: -0.297
local terms energy: -67.266471
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -345.063824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.063824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.063824 (E_RNA)
where:
Base-Base interactions energy: -235.753
where: short stacking energy: -88.195
Base-Backbone interact. energy: -0.695
local terms energy: -108.616418
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -26.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -358.582933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.582933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.582933 (E_RNA)
where:
Base-Base interactions energy: -237.235
where: short stacking energy: -102.068
Base-Backbone interact. energy: -0.049
local terms energy: -121.298898
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -25.422
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -32.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -312.695821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.695821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.695821 (E_RNA)
where:
Base-Base interactions energy: -209.262
where: short stacking energy: -107.009
Base-Backbone interact. energy: 0.442
local terms energy: -103.875767
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -24.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -285.770267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.770267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.770267 (E_RNA)
where:
Base-Base interactions energy: -185.718
where: short stacking energy: -86.724
Base-Backbone interact. energy: 0.209
local terms energy: -100.260965
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -241.005695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.005695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.005695 (E_RNA)
where:
Base-Base interactions energy: -141.904
where: short stacking energy: -70.760
Base-Backbone interact. energy: 2.084
local terms energy: -101.185109
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -17.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -272.774361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.774361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.774361 (E_RNA)
where:
Base-Base interactions energy: -171.157
where: short stacking energy: -77.484
Base-Backbone interact. energy: -0.521
local terms energy: -101.096560
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -135.066071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.066071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.066071 (E_RNA)
where:
Base-Base interactions energy: -59.657
where: short stacking energy: -54.479
Base-Backbone interact. energy: 2.159
local terms energy: -77.568425
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -24.521
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -124.243687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.243687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.243687 (E_RNA)
where:
Base-Base interactions energy: -55.923
where: short stacking energy: -34.287
Base-Backbone interact. energy: 0.066
local terms energy: -68.386865
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -119.086017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.086017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.086017 (E_RNA)
where:
Base-Base interactions energy: -51.375
where: short stacking energy: -39.266
Base-Backbone interact. energy: -0.243
local terms energy: -67.467778
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -101.389970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.389970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.389970 (E_RNA)
where:
Base-Base interactions energy: -35.730
where: short stacking energy: -34.867
Base-Backbone interact. energy: 0.957
local terms energy: -66.616923
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -5.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -369.995203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.995203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.995203 (E_RNA)
where:
Base-Base interactions energy: -245.191
where: short stacking energy: -111.326
Base-Backbone interact. energy: -0.113
local terms energy: -124.691228
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -23.957
flat angles C4'-P-C4' energy: -24.412
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -34.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -350.073591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.073591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.073591 (E_RNA)
where:
Base-Base interactions energy: -232.576
where: short stacking energy: -93.786
Base-Backbone interact. energy: -0.823
local terms energy: -116.674752
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -30.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -299.579324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.579324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.579324 (E_RNA)
where:
Base-Base interactions energy: -194.637
where: short stacking energy: -88.753
Base-Backbone interact. energy: 1.442
local terms energy: -106.384084
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -25.364
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -276.496536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.496536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.496536 (E_RNA)
where:
Base-Base interactions energy: -180.603
where: short stacking energy: -78.360
Base-Backbone interact. energy: -0.124
local terms energy: -95.768823
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -276.022499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.022499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.022499 (E_RNA)
where:
Base-Base interactions energy: -167.648
where: short stacking energy: -82.914
Base-Backbone interact. energy: -0.140
local terms energy: -108.234191
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -25.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -228.200073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.200073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.200073 (E_RNA)
where:
Base-Base interactions energy: -134.016
where: short stacking energy: -74.444
Base-Backbone interact. energy: -0.134
local terms energy: -94.049120
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -142.277827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.277827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.277827 (E_RNA)
where:
Base-Base interactions energy: -55.850
where: short stacking energy: -54.895
Base-Backbone interact. energy: 0.688
local terms energy: -87.115478
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -125.884013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.884013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.884013 (E_RNA)
where:
Base-Base interactions energy: -46.637
where: short stacking energy: -38.657
Base-Backbone interact. energy: -0.324
local terms energy: -78.922751
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -10.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -127.661453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.661453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.661453 (E_RNA)
where:
Base-Base interactions energy: -44.956
where: short stacking energy: -38.631
Base-Backbone interact. energy: -0.703
local terms energy: -82.002599
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -9.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -111.296379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.296379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.296379 (E_RNA)
where:
Base-Base interactions energy: -36.029
where: short stacking energy: -32.935
Base-Backbone interact. energy: -0.519
local terms energy: -74.748766
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -365.237526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.237526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.237526 (E_RNA)
where:
Base-Base interactions energy: -243.474
where: short stacking energy: -106.286
Base-Backbone interact. energy: -0.367
local terms energy: -121.396237
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -31.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -353.724482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.724482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.724482 (E_RNA)
where:
Base-Base interactions energy: -238.868
where: short stacking energy: -98.959
Base-Backbone interact. energy: -0.703
local terms energy: -114.153290
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -33.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -304.425428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.425428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.425428 (E_RNA)
where:
Base-Base interactions energy: -198.729
where: short stacking energy: -91.859
Base-Backbone interact. energy: -0.307
local terms energy: -105.389218
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -18.902
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -306.329014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.329014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.329014 (E_RNA)
where:
Base-Base interactions energy: -212.999
where: short stacking energy: -103.705
Base-Backbone interact. energy: -0.461
local terms energy: -92.869697
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -26.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -274.488668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.488668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.488668 (E_RNA)
where:
Base-Base interactions energy: -173.567
where: short stacking energy: -73.811
Base-Backbone interact. energy: -0.237
local terms energy: -100.684731
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -18.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -251.621989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.621989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.621989 (E_RNA)
where:
Base-Base interactions energy: -164.138
where: short stacking energy: -80.457
Base-Backbone interact. energy: -0.077
local terms energy: -87.407030
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -122.599322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.599322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.599322 (E_RNA)
where:
Base-Base interactions energy: -45.766
where: short stacking energy: -39.391
Base-Backbone interact. energy: -0.194
local terms energy: -76.639066
where:
bonds (distance) C4'-P energy: -25.058
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -122.131577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.131577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.131577 (E_RNA)
where:
Base-Base interactions energy: -49.133
where: short stacking energy: -42.230
Base-Backbone interact. energy: -0.043
local terms energy: -72.956392
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: 0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -120.131002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.131002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.131002 (E_RNA)
where:
Base-Base interactions energy: -38.332
where: short stacking energy: -38.332
Base-Backbone interact. energy: -0.399
local terms energy: -81.400225
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -116.482740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.482740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.482740 (E_RNA)
where:
Base-Base interactions energy: -49.422
where: short stacking energy: -36.362
Base-Backbone interact. energy: -0.544
local terms energy: -66.516266
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -358.547645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.547645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.547645 (E_RNA)
where:
Base-Base interactions energy: -249.838
where: short stacking energy: -95.511
Base-Backbone interact. energy: -0.803
local terms energy: -107.906480
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -27.008
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -27.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -369.845115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.845115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.845115 (E_RNA)
where:
Base-Base interactions energy: -249.288
where: short stacking energy: -113.359
Base-Backbone interact. energy: -0.183
local terms energy: -120.374296
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -31.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -305.571754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.571754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.571754 (E_RNA)
where:
Base-Base interactions energy: -198.767
where: short stacking energy: -105.416
Base-Backbone interact. energy: -0.730
local terms energy: -106.074325
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -23.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -294.038868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.038868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.038868 (E_RNA)
where:
Base-Base interactions energy: -192.863
where: short stacking energy: -90.648
Base-Backbone interact. energy: -0.767
local terms energy: -100.409016
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -25.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -284.789860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.789860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.789860 (E_RNA)
where:
Base-Base interactions energy: -179.795
where: short stacking energy: -82.058
Base-Backbone interact. energy: -0.556
local terms energy: -104.438823
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -22.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -299.479936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.479936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.479936 (E_RNA)
where:
Base-Base interactions energy: -192.826
where: short stacking energy: -82.505
Base-Backbone interact. energy: -0.063
local terms energy: -106.591510
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -25.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -128.069264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.069264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.069264 (E_RNA)
where:
Base-Base interactions energy: -39.521
where: short stacking energy: -39.521
Base-Backbone interact. energy: -0.243
local terms energy: -88.304926
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -128.654497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.654497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.654497 (E_RNA)
where:
Base-Base interactions energy: -54.756
where: short stacking energy: -46.186
Base-Backbone interact. energy: -1.174
local terms energy: -72.724013
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -126.163187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.163187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.163187 (E_RNA)
where:
Base-Base interactions energy: -58.449
where: short stacking energy: -52.091
Base-Backbone interact. energy: -0.139
local terms energy: -67.576142
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -9.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -109.528035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.528035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.528035 (E_RNA)
where:
Base-Base interactions energy: -49.846
where: short stacking energy: -33.824
Base-Backbone interact. energy: 3.154
local terms energy: -62.836881
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -343.680193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.680193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.680193 (E_RNA)
where:
Base-Base interactions energy: -237.769
where: short stacking energy: -103.354
Base-Backbone interact. energy: -0.976
local terms energy: -104.935241
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -25.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -360.240117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.240117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.240117 (E_RNA)
where:
Base-Base interactions energy: -240.226
where: short stacking energy: -108.179
Base-Backbone interact. energy: -0.004
local terms energy: -120.010351
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -33.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -302.160461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.160461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.160461 (E_RNA)
where:
Base-Base interactions energy: -214.475
where: short stacking energy: -84.421
Base-Backbone interact. energy: -0.052
local terms energy: -87.634013
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -19.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -296.139745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.139745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.139745 (E_RNA)
where:
Base-Base interactions energy: -194.944
where: short stacking energy: -85.462
Base-Backbone interact. energy: 0.013
local terms energy: -101.208407
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -26.155
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -20.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -290.811706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.811706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.811706 (E_RNA)
where:
Base-Base interactions energy: -190.279
where: short stacking energy: -78.817
Base-Backbone interact. energy: -0.192
local terms energy: -100.341165
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -22.064
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -298.405931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.405931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.405931 (E_RNA)
where:
Base-Base interactions energy: -201.992
where: short stacking energy: -77.578
Base-Backbone interact. energy: -0.171
local terms energy: -96.243359
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -21.825
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -165.715890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.715890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.715890 (E_RNA)
where:
Base-Base interactions energy: -84.745
where: short stacking energy: -46.702
Base-Backbone interact. energy: -1.186
local terms energy: -79.784242
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -4.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -129.413003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.413003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.413003 (E_RNA)
where:
Base-Base interactions energy: -51.115
where: short stacking energy: -45.904
Base-Backbone interact. energy: -0.708
local terms energy: -77.590489
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -9.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -139.063216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.063216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.063216 (E_RNA)
where:
Base-Base interactions energy: -61.156
where: short stacking energy: -46.833
Base-Backbone interact. energy: -0.355
local terms energy: -77.551733
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -128.132919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.132919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.132919 (E_RNA)
where:
Base-Base interactions energy: -49.379
where: short stacking energy: -43.474
Base-Backbone interact. energy: 0.616
local terms energy: -79.370092
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -373.547782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.547782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.547782 (E_RNA)
where:
Base-Base interactions energy: -252.664
where: short stacking energy: -114.955
Base-Backbone interact. energy: -1.027
local terms energy: -119.857579
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -34.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -350.758794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.758794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.758794 (E_RNA)
where:
Base-Base interactions energy: -238.453
where: short stacking energy: -107.124
Base-Backbone interact. energy: 2.072
local terms energy: -114.377274
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: -27.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -290.863589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.863589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.863589 (E_RNA)
where:
Base-Base interactions energy: -193.213
where: short stacking energy: -75.259
Base-Backbone interact. energy: -0.176
local terms energy: -97.474642
where:
bonds (distance) C4'-P energy: -22.056
bonds (distance) P-C4' energy: -28.691
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -303.704496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.704496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.704496 (E_RNA)
where:
Base-Base interactions energy: -199.635
where: short stacking energy: -95.901
Base-Backbone interact. energy: -2.237
local terms energy: -101.832139
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -16.260
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -289.558329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.558329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.558329 (E_RNA)
where:
Base-Base interactions energy: -186.634
where: short stacking energy: -77.000
Base-Backbone interact. energy: -1.848
local terms energy: -101.076531
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -281.257588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.257588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.257588 (E_RNA)
where:
Base-Base interactions energy: -192.130
where: short stacking energy: -90.758
Base-Backbone interact. energy: 2.170
local terms energy: -91.297931
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -125.324927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.324927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.324927 (E_RNA)
where:
Base-Base interactions energy: -44.355
where: short stacking energy: -36.349
Base-Backbone interact. energy: -0.331
local terms energy: -80.639305
where:
bonds (distance) C4'-P energy: -26.147
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -125.478618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.478618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.478618 (E_RNA)
where:
Base-Base interactions energy: -41.799
where: short stacking energy: -37.825
Base-Backbone interact. energy: -0.292
local terms energy: -83.388113
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -108.802969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.802969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.802969 (E_RNA)
where:
Base-Base interactions energy: -31.790
where: short stacking energy: -28.277
Base-Backbone interact. energy: -0.737
local terms energy: -76.275953
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -111.516464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.516464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.516464 (E_RNA)
where:
Base-Base interactions energy: -35.766
where: short stacking energy: -33.387
Base-Backbone interact. energy: -0.485
local terms energy: -75.265582
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -366.894108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.894108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.894108 (E_RNA)
where:
Base-Base interactions energy: -252.145
where: short stacking energy: -99.425
Base-Backbone interact. energy: -0.133
local terms energy: -114.616558
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -18.514
flat angles C4'-P-C4' energy: -26.001
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -33.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -353.930108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.930108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.930108 (E_RNA)
where:
Base-Base interactions energy: -240.452
where: short stacking energy: -100.603
Base-Backbone interact. energy: -0.434
local terms energy: -113.044863
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -26.765
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -29.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -302.163402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.163402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.163402 (E_RNA)
where:
Base-Base interactions energy: -189.743
where: short stacking energy: -87.751
Base-Backbone interact. energy: -0.729
local terms energy: -111.692069
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -25.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -295.512927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.512927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.512927 (E_RNA)
where:
Base-Base interactions energy: -205.809
where: short stacking energy: -87.651
Base-Backbone interact. energy: -1.051
local terms energy: -88.652547
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -276.686613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.686613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.686613 (E_RNA)
where:
Base-Base interactions energy: -187.121
where: short stacking energy: -83.049
Base-Backbone interact. energy: -0.614
local terms energy: -88.951237
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -275.962278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.962278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.962278 (E_RNA)
where:
Base-Base interactions energy: -189.798
where: short stacking energy: -75.558
Base-Backbone interact. energy: 2.587
local terms energy: -88.751507
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -131.004154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.004154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.004154 (E_RNA)
where:
Base-Base interactions energy: -58.322
where: short stacking energy: -52.279
Base-Backbone interact. energy: 8.859
local terms energy: -81.541350
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -125.828007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.828007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.828007 (E_RNA)
where:
Base-Base interactions energy: -41.126
where: short stacking energy: -39.799
Base-Backbone interact. energy: 1.184
local terms energy: -85.886012
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -114.887075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.887075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.887075 (E_RNA)
where:
Base-Base interactions energy: -38.832
where: short stacking energy: -38.832
Base-Backbone interact. energy: -0.173
local terms energy: -75.881876
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -127.224285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.224285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.224285 (E_RNA)
where:
Base-Base interactions energy: -56.157
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.916
local terms energy: -70.151186
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -11.203
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: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -373.396789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.396789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.396789 (E_RNA)
where:
Base-Base interactions energy: -245.859
where: short stacking energy: -109.423
Base-Backbone interact. energy: -0.007
local terms energy: -127.530722
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -24.640
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -34.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -353.814908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.814908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.814908 (E_RNA)
where:
Base-Base interactions energy: -236.441
where: short stacking energy: -108.751
Base-Backbone interact. energy: -0.187
local terms energy: -117.186896
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -30.502
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: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -305.969668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.969668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.969668 (E_RNA)
where:
Base-Base interactions energy: -206.774
where: short stacking energy: -95.426
Base-Backbone interact. energy: -0.217
local terms energy: -98.978189
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -303.155797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.155797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.155797 (E_RNA)
where:
Base-Base interactions energy: -207.373
where: short stacking energy: -80.763
Base-Backbone interact. energy: -0.688
local terms energy: -95.095265
where:
bonds (distance) C4'-P energy: -23.159
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -307.875216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.875216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.875216 (E_RNA)
where:
Base-Base interactions energy: -204.368
where: short stacking energy: -78.539
Base-Backbone interact. energy: -1.407
local terms energy: -102.099719
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -25.299
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: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -263.797337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.797337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.797337 (E_RNA)
where:
Base-Base interactions energy: -176.079
where: short stacking energy: -61.859
Base-Backbone interact. energy: -0.910
local terms energy: -86.809037
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -12.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -196.059631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.059631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.059631 (E_RNA)
where:
Base-Base interactions energy: -106.450
where: short stacking energy: -56.502
Base-Backbone interact. energy: -0.215
local terms energy: -89.395226
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -134.113410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.113410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.113410 (E_RNA)
where:
Base-Base interactions energy: -54.963
where: short stacking energy: -45.404
Base-Backbone interact. energy: -0.172
local terms energy: -78.977844
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -24.146
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -107.724127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.724127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.724127 (E_RNA)
where:
Base-Base interactions energy: -40.643
where: short stacking energy: -37.328
Base-Backbone interact. energy: -0.022
local terms energy: -67.059613
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -24.544
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -9.226
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: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -117.164522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.164522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.164522 (E_RNA)
where:
Base-Base interactions energy: -60.116
where: short stacking energy: -48.840
Base-Backbone interact. energy: 1.561
local terms energy: -58.609666
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: 0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -370.819807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.819807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.819807 (E_RNA)
where:
Base-Base interactions energy: -251.574
where: short stacking energy: -117.582
Base-Backbone interact. energy: -0.306
local terms energy: -118.939678
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -34.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -343.764649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.764649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.764649 (E_RNA)
where:
Base-Base interactions energy: -228.344
where: short stacking energy: -109.021
Base-Backbone interact. energy: 0.659
local terms energy: -116.079808
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -23.253
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -32.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -307.426847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.426847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.426847 (E_RNA)
where:
Base-Base interactions energy: -203.490
where: short stacking energy: -92.983
Base-Backbone interact. energy: -0.257
local terms energy: -103.679552
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -25.015
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -297.997766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.997766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.997766 (E_RNA)
where:
Base-Base interactions energy: -207.850
where: short stacking energy: -77.853
Base-Backbone interact. energy: -0.664
local terms energy: -89.483982
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -281.286264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.286264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.286264 (E_RNA)
where:
Base-Base interactions energy: -194.949
where: short stacking energy: -87.678
Base-Backbone interact. energy: 0.614
local terms energy: -86.951322
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -202.455357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.455357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.455357 (E_RNA)
where:
Base-Base interactions energy: -125.053
where: short stacking energy: -51.774
Base-Backbone interact. energy: -0.137
local terms energy: -77.265729
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -248.179094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.179094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.179094 (E_RNA)
where:
Base-Base interactions energy: -164.772
where: short stacking energy: -72.270
Base-Backbone interact. energy: -0.772
local terms energy: -82.635105
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -118.037029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.037029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.037029 (E_RNA)
where:
Base-Base interactions energy: -36.361
where: short stacking energy: -36.361
Base-Backbone interact. energy: -0.257
local terms energy: -81.419802
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: 0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -119.966831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.966831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.966831 (E_RNA)
where:
Base-Base interactions energy: -43.626
where: short stacking energy: -40.394
Base-Backbone interact. energy: 0.004
local terms energy: -76.345051
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -108.988285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.988285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.988285 (E_RNA)
where:
Base-Base interactions energy: -44.766
where: short stacking energy: -32.707
Base-Backbone interact. energy: 2.703
local terms energy: -66.925278
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -3.524
tors. eta vs tors. theta energy: 0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -343.527329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.527329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.527329 (E_RNA)
where:
Base-Base interactions energy: -228.768
where: short stacking energy: -109.912
Base-Backbone interact. energy: 0.126
local terms energy: -114.884617
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -25.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -366.725408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.725408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.725408 (E_RNA)
where:
Base-Base interactions energy: -251.716
where: short stacking energy: -110.001
Base-Backbone interact. energy: -0.096
local terms energy: -114.914173
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -26.536
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -32.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -325.183408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.183408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.183408 (E_RNA)
where:
Base-Base interactions energy: -222.524
where: short stacking energy: -90.869
Base-Backbone interact. energy: -1.041
local terms energy: -101.618620
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -296.630869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.630869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.630869 (E_RNA)
where:
Base-Base interactions energy: -195.025
where: short stacking energy: -91.734
Base-Backbone interact. energy: -0.156
local terms energy: -101.449448
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -28.527
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: 5, replica: 1
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -279.465120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.465120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.465120 (E_RNA)
where:
Base-Base interactions energy: -177.846
where: short stacking energy: -86.392
Base-Backbone interact. energy: -0.360
local terms energy: -101.259014
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -220.675350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.675350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.675350 (E_RNA)
where:
Base-Base interactions energy: -135.832
where: short stacking energy: -58.984
Base-Backbone interact. energy: 0.375
local terms energy: -85.218311
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -219.428917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.428917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.428917 (E_RNA)
where:
Base-Base interactions energy: -145.996
where: short stacking energy: -62.744
Base-Backbone interact. energy: -0.593
local terms energy: -72.840372
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -118.835104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.835104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.835104 (E_RNA)
where:
Base-Base interactions energy: -47.822
where: short stacking energy: -28.053
Base-Backbone interact. energy: -0.155
local terms energy: -70.858855
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -121.602877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.602877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.602877 (E_RNA)
where:
Base-Base interactions energy: -47.285
where: short stacking energy: -38.576
Base-Backbone interact. energy: -0.078
local terms energy: -74.240428
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -114.813418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.813418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.813418 (E_RNA)
where:
Base-Base interactions energy: -40.209
where: short stacking energy: -40.209
Base-Backbone interact. energy: -0.597
local terms energy: -74.007848
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -342.009273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.009273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.009273 (E_RNA)
where:
Base-Base interactions energy: -231.981
where: short stacking energy: -108.187
Base-Backbone interact. energy: -0.290
local terms energy: -109.738514
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -23.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -338.474137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.474137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.474137 (E_RNA)
where:
Base-Base interactions energy: -229.676
where: short stacking energy: -87.727
Base-Backbone interact. energy: -0.852
local terms energy: -107.946474
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -26.826
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -359.802865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.802865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.802865 (E_RNA)
where:
Base-Base interactions energy: -243.434
where: short stacking energy: -106.818
Base-Backbone interact. energy: -0.194
local terms energy: -116.175226
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -25.393
flat angles P-C4'-P energy: -18.845
tors. eta vs tors. theta energy: -32.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -283.552105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.552105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.552105 (E_RNA)
where:
Base-Base interactions energy: -171.487
where: short stacking energy: -88.590
Base-Backbone interact. energy: -0.232
local terms energy: -111.832877
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -27.460
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -26.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -288.258291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.258291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.258291 (E_RNA)
where:
Base-Base interactions energy: -184.414
where: short stacking energy: -82.070
Base-Backbone interact. energy: 0.044
local terms energy: -103.888645
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -27.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -229.265093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.265093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.265093 (E_RNA)
where:
Base-Base interactions energy: -142.831
where: short stacking energy: -51.401
Base-Backbone interact. energy: -0.055
local terms energy: -86.379248
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -17.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -191.048597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.048597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.048597 (E_RNA)
where:
Base-Base interactions energy: -92.850
where: short stacking energy: -59.653
Base-Backbone interact. energy: -0.227
local terms energy: -97.971401
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -122.975135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.975135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.975135 (E_RNA)
where:
Base-Base interactions energy: -50.370
where: short stacking energy: -41.533
Base-Backbone interact. energy: 0.463
local terms energy: -73.067209
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -139.688956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.688956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.688956 (E_RNA)
where:
Base-Base interactions energy: -71.762
where: short stacking energy: -50.169
Base-Backbone interact. energy: -0.111
local terms energy: -67.816485
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -114.598524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.598524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.598524 (E_RNA)
where:
Base-Base interactions energy: -49.968
where: short stacking energy: -44.684
Base-Backbone interact. energy: 0.213
local terms energy: -64.843208
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: 3.225
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: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -345.819770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.819770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.819770 (E_RNA)
where:
Base-Base interactions energy: -242.910
where: short stacking energy: -91.694
Base-Backbone interact. energy: -0.934
local terms energy: -101.976328
where:
bonds (distance) C4'-P energy: -21.223
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -327.104091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.104091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.104091 (E_RNA)
where:
Base-Base interactions energy: -222.420
where: short stacking energy: -84.720
Base-Backbone interact. energy: 0.544
local terms energy: -105.227806
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -21.868
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -24.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -355.780769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.780769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.780769 (E_RNA)
where:
Base-Base interactions energy: -243.075
where: short stacking energy: -112.316
Base-Backbone interact. energy: -0.013
local terms energy: -112.692765
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -31.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -292.206428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.206428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.206428 (E_RNA)
where:
Base-Base interactions energy: -183.554
where: short stacking energy: -93.440
Base-Backbone interact. energy: -1.492
local terms energy: -107.160686
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -279.778172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.778172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.778172 (E_RNA)
where:
Base-Base interactions energy: -180.658
where: short stacking energy: -77.359
Base-Backbone interact. energy: -0.979
local terms energy: -98.141182
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -222.183156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.183156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.183156 (E_RNA)
where:
Base-Base interactions energy: -133.701
where: short stacking energy: -67.114
Base-Backbone interact. energy: -0.682
local terms energy: -87.800272
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -189.507640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.507640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.507640 (E_RNA)
where:
Base-Base interactions energy: -100.868
where: short stacking energy: -57.756
Base-Backbone interact. energy: 0.855
local terms energy: -89.494844
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -22.443
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -12.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -128.668879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.668879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.668879 (E_RNA)
where:
Base-Base interactions energy: -45.714
where: short stacking energy: -45.714
Base-Backbone interact. energy: 1.462
local terms energy: -84.417059
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -112.232089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.232089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.232089 (E_RNA)
where:
Base-Base interactions energy: -37.287
where: short stacking energy: -37.287
Base-Backbone interact. energy: -0.331
local terms energy: -74.614273
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -116.317295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.317295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.317295 (E_RNA)
where:
Base-Base interactions energy: -52.514
where: short stacking energy: -42.776
Base-Backbone interact. energy: 0.648
local terms energy: -64.450672
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -345.205700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.205700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.205700 (E_RNA)
where:
Base-Base interactions energy: -234.629
where: short stacking energy: -92.579
Base-Backbone interact. energy: -0.922
local terms energy: -109.655530
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -25.793
flat angles C4'-P-C4' energy: -25.117
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -21.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -363.634291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.634291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.634291 (E_RNA)
where:
Base-Base interactions energy: -245.917
where: short stacking energy: -109.078
Base-Backbone interact. energy: -0.936
local terms energy: -116.781010
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -31.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -320.922700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.922700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.922700 (E_RNA)
where:
Base-Base interactions energy: -222.811
where: short stacking energy: -85.442
Base-Backbone interact. energy: 0.163
local terms energy: -98.275391
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -23.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -302.448196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.448196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.448196 (E_RNA)
where:
Base-Base interactions energy: -199.230
where: short stacking energy: -98.736
Base-Backbone interact. energy: -0.197
local terms energy: -103.020737
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -25.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -264.674751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.674751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.674751 (E_RNA)
where:
Base-Base interactions energy: -160.927
where: short stacking energy: -71.458
Base-Backbone interact. energy: 2.296
local terms energy: -106.043927
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -21.953
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -182.170564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.170564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.170564 (E_RNA)
where:
Base-Base interactions energy: -104.129
where: short stacking energy: -66.731
Base-Backbone interact. energy: 0.868
local terms energy: -78.909946
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -26.424
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -212.994922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.994922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.994922 (E_RNA)
where:
Base-Base interactions energy: -124.421
where: short stacking energy: -57.455
Base-Backbone interact. energy: 1.251
local terms energy: -89.824465
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -117.272104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.272104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.272104 (E_RNA)
where:
Base-Base interactions energy: -47.585
where: short stacking energy: -27.272
Base-Backbone interact. energy: -0.867
local terms energy: -68.820664
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: 8.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -115.381764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.381764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.381764 (E_RNA)
where:
Base-Base interactions energy: -36.821
where: short stacking energy: -34.045
Base-Backbone interact. energy: 1.924
local terms energy: -80.485513
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -121.932707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.932707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.932707 (E_RNA)
where:
Base-Base interactions energy: -39.829
where: short stacking energy: -39.829
Base-Backbone interact. energy: -0.382
local terms energy: -81.722115
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -7.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -349.493387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.493387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.493387 (E_RNA)
where:
Base-Base interactions energy: -236.509
where: short stacking energy: -98.006
Base-Backbone interact. energy: -0.880
local terms energy: -112.104529
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -27.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -358.602280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.602280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.602280 (E_RNA)
where:
Base-Base interactions energy: -237.407
where: short stacking energy: -95.658
Base-Backbone interact. energy: -0.038
local terms energy: -121.157526
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -24.048
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -30.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -347.579177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.579177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.579177 (E_RNA)
where:
Base-Base interactions energy: -243.156
where: short stacking energy: -96.642
Base-Backbone interact. energy: -0.760
local terms energy: -103.663217
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -288.914799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.914799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.914799 (E_RNA)
where:
Base-Base interactions energy: -183.617
where: short stacking energy: -98.302
Base-Backbone interact. energy: -0.269
local terms energy: -105.028921
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -274.942257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.942257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.942257 (E_RNA)
where:
Base-Base interactions energy: -170.540
where: short stacking energy: -81.449
Base-Backbone interact. energy: -0.020
local terms energy: -104.381891
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -21.609
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: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -188.178023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.178023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.178023 (E_RNA)
where:
Base-Base interactions energy: -107.354
where: short stacking energy: -57.685
Base-Backbone interact. energy: -0.635
local terms energy: -80.189418
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -221.169126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.169126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.169126 (E_RNA)
where:
Base-Base interactions energy: -132.093
where: short stacking energy: -66.352
Base-Backbone interact. energy: -0.302
local terms energy: -88.774012
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -119.630666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.630666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.630666 (E_RNA)
where:
Base-Base interactions energy: -49.422
where: short stacking energy: -33.573
Base-Backbone interact. energy: -0.569
local terms energy: -69.639679
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -10.542
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: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -114.379995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.379995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.379995 (E_RNA)
where:
Base-Base interactions energy: -40.145
where: short stacking energy: -40.145
Base-Backbone interact. energy: -0.126
local terms energy: -74.109343
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -105.019185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.019185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.019185 (E_RNA)
where:
Base-Base interactions energy: -24.905
where: short stacking energy: -24.905
Base-Backbone interact. energy: -0.109
local terms energy: -80.005256
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: 0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -341.985373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.985373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.985373 (E_RNA)
where:
Base-Base interactions energy: -230.870
where: short stacking energy: -98.301
Base-Backbone interact. energy: -1.256
local terms energy: -109.858627
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -25.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -367.655354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.655354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.655354 (E_RNA)
where:
Base-Base interactions energy: -251.209
where: short stacking energy: -113.999
Base-Backbone interact. energy: -0.047
local terms energy: -116.399383
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -24.288
flat angles C4'-P-C4' energy: -26.299
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -33.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -347.895712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.895712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.895712 (E_RNA)
where:
Base-Base interactions energy: -235.146
where: short stacking energy: -97.241
Base-Backbone interact. energy: -1.197
local terms energy: -111.553058
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -26.806
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -24.723
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: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -275.795965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.795965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.795965 (E_RNA)
where:
Base-Base interactions energy: -176.564
where: short stacking energy: -86.724
Base-Backbone interact. energy: -0.009
local terms energy: -99.222795
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -266.089893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.089893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.089893 (E_RNA)
where:
Base-Base interactions energy: -170.087
where: short stacking energy: -91.635
Base-Backbone interact. energy: -0.056
local terms energy: -95.947109
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -26.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -190.756315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.756315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.756315 (E_RNA)
where:
Base-Base interactions energy: -114.331
where: short stacking energy: -42.531
Base-Backbone interact. energy: -0.214
local terms energy: -76.211184
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -206.265242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.265242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.265242 (E_RNA)
where:
Base-Base interactions energy: -131.361
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.130
local terms energy: -74.774002
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -24.674
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -11.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -121.669918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.669918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.669918 (E_RNA)
where:
Base-Base interactions energy: -44.614
where: short stacking energy: -36.175
Base-Backbone interact. energy: -0.187
local terms energy: -76.868563
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -8.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -112.749639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.749639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.749639 (E_RNA)
where:
Base-Base interactions energy: -41.964
where: short stacking energy: -40.128
Base-Backbone interact. energy: 1.464
local terms energy: -72.249183
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -11.454
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: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -111.894472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.894472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.894472 (E_RNA)
where:
Base-Base interactions energy: -55.420
where: short stacking energy: -29.077
Base-Backbone interact. energy: -0.330
local terms energy: -56.144714
where:
bonds (distance) C4'-P energy: -7.380
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: 2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -371.544770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.544770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.544770 (E_RNA)
where:
Base-Base interactions energy: -250.611
where: short stacking energy: -107.972
Base-Backbone interact. energy: -0.003
local terms energy: -120.931348
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -25.319
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -32.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -343.072408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.072408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.072408 (E_RNA)
where:
Base-Base interactions energy: -239.759
where: short stacking energy: -90.691
Base-Backbone interact. energy: -1.463
local terms energy: -101.850273
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -21.279
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: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -329.075442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.075442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.075442 (E_RNA)
where:
Base-Base interactions energy: -227.082
where: short stacking energy: -88.342
Base-Backbone interact. energy: -0.098
local terms energy: -101.895459
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -21.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -284.434462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.434462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.434462 (E_RNA)
where:
Base-Base interactions energy: -180.014
where: short stacking energy: -76.873
Base-Backbone interact. energy: -0.233
local terms energy: -104.188262
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -25.439
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -19.138
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: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -279.402254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.402254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.402254 (E_RNA)
where:
Base-Base interactions energy: -182.811
where: short stacking energy: -87.774
Base-Backbone interact. energy: -0.731
local terms energy: -95.860177
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -23.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -134.519571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.519571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.519571 (E_RNA)
where:
Base-Base interactions energy: -52.540
where: short stacking energy: -35.418
Base-Backbone interact. energy: 1.251
local terms energy: -83.230965
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -230.357198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.357198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.357198 (E_RNA)
where:
Base-Base interactions energy: -147.235
where: short stacking energy: -71.752
Base-Backbone interact. energy: -0.426
local terms energy: -82.696712
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -23.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -150.385565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.385565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.385565 (E_RNA)
where:
Base-Base interactions energy: -83.934
where: short stacking energy: -38.812
Base-Backbone interact. energy: -0.468
local terms energy: -65.983548
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -125.317141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.317141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.317141 (E_RNA)
where:
Base-Base interactions energy: -57.826
where: short stacking energy: -33.335
Base-Backbone interact. energy: -0.238
local terms energy: -67.253400
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: 3.236
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: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -101.177645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.177645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.177645 (E_RNA)
where:
Base-Base interactions energy: -31.705
where: short stacking energy: -31.211
Base-Backbone interact. energy: 2.370
local terms energy: -71.842573
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -374.260200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.260200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.260200 (E_RNA)
where:
Base-Base interactions energy: -250.429
where: short stacking energy: -116.019
Base-Backbone interact. energy: -0.073
local terms energy: -123.758141
where:
bonds (distance) C4'-P energy: -25.286
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -31.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -334.164482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.164482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.164482 (E_RNA)
where:
Base-Base interactions energy: -223.996
where: short stacking energy: -94.430
Base-Backbone interact. energy: -0.887
local terms energy: -109.280900
where:
bonds (distance) C4'-P energy: -23.621
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -346.069625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.069625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.069625 (E_RNA)
where:
Base-Base interactions energy: -233.772
where: short stacking energy: -96.711
Base-Backbone interact. energy: -0.913
local terms energy: -111.385307
where:
bonds (distance) C4'-P energy: -21.413
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -25.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -268.136494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.136494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.136494 (E_RNA)
where:
Base-Base interactions energy: -166.462
where: short stacking energy: -74.610
Base-Backbone interact. energy: -0.357
local terms energy: -101.317433
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -289.676106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.676106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.676106 (E_RNA)
where:
Base-Base interactions energy: -177.097
where: short stacking energy: -87.627
Base-Backbone interact. energy: -0.467
local terms energy: -112.111395
where:
bonds (distance) C4'-P energy: -24.724
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -23.315
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -24.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -231.769014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.769014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.769014 (E_RNA)
where:
Base-Base interactions energy: -140.745
where: short stacking energy: -75.962
Base-Backbone interact. energy: -0.211
local terms energy: -90.813225
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -23.664
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: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -126.643436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.643436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.643436 (E_RNA)
where:
Base-Base interactions energy: -56.627
where: short stacking energy: -44.102
Base-Backbone interact. energy: -0.811
local terms energy: -69.204573
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -24.552
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: 0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -139.152919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.152919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.152919 (E_RNA)
where:
Base-Base interactions energy: -58.451
where: short stacking energy: -44.515
Base-Backbone interact. energy: -0.273
local terms energy: -80.428445
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -25.486
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -111.922929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.922929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.922929 (E_RNA)
where:
Base-Base interactions energy: -46.207
where: short stacking energy: -35.926
Base-Backbone interact. energy: -0.288
local terms energy: -65.427430
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: 4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -118.326862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.326862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.326862 (E_RNA)
where:
Base-Base interactions energy: -44.519
where: short stacking energy: -40.109
Base-Backbone interact. energy: -0.132
local terms energy: -73.676016
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -24.404
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -368.400739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.400739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.400739 (E_RNA)
where:
Base-Base interactions energy: -254.222
where: short stacking energy: -111.286
Base-Backbone interact. energy: -0.037
local terms energy: -114.140965
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -25.416
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -34.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -332.706423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.706423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.706423 (E_RNA)
where:
Base-Base interactions energy: -231.976
where: short stacking energy: -91.007
Base-Backbone interact. energy: -0.249
local terms energy: -100.480737
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -342.619210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.619210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.619210 (E_RNA)
where:
Base-Base interactions energy: -238.600
where: short stacking energy: -89.667
Base-Backbone interact. energy: -0.593
local terms energy: -103.425835
where:
bonds (distance) C4'-P energy: -23.850
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -275.799030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.799030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.799030 (E_RNA)
where:
Base-Base interactions energy: -169.839
where: short stacking energy: -86.140
Base-Backbone interact. energy: -0.141
local terms energy: -105.818603
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -18.170
tors. eta vs tors. theta energy: -19.096
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: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -296.580470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.580470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.580470 (E_RNA)
where:
Base-Base interactions energy: -197.152
where: short stacking energy: -90.825
Base-Backbone interact. energy: -0.199
local terms energy: -99.228981
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -24.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -230.025580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.025580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.025580 (E_RNA)
where:
Base-Base interactions energy: -137.719
where: short stacking energy: -64.777
Base-Backbone interact. energy: 0.466
local terms energy: -92.772668
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -158.156307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.156307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.156307 (E_RNA)
where:
Base-Base interactions energy: -79.517
where: short stacking energy: -45.905
Base-Backbone interact. energy: 3.198
local terms energy: -81.836550
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -124.386761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.386761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.386761 (E_RNA)
where:
Base-Base interactions energy: -44.486
where: short stacking energy: -44.981
Base-Backbone interact. energy: -0.361
local terms energy: -79.540298
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -113.997823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.997823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.997823 (E_RNA)
where:
Base-Base interactions energy: -49.450
where: short stacking energy: -38.740
Base-Backbone interact. energy: 0.477
local terms energy: -65.025141
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: 3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -116.908762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.908762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.908762 (E_RNA)
where:
Base-Base interactions energy: -50.875
where: short stacking energy: -43.567
Base-Backbone interact. energy: -0.194
local terms energy: -65.840027
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -373.778721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.778721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.778721 (E_RNA)
where:
Base-Base interactions energy: -247.930
where: short stacking energy: -106.593
Base-Backbone interact. energy: -0.104
local terms energy: -125.744621
where:
bonds (distance) C4'-P energy: -24.772
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -32.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -367.289436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.289436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.289436 (E_RNA)
where:
Base-Base interactions energy: -242.793
where: short stacking energy: -105.413
Base-Backbone interact. energy: -0.340
local terms energy: -124.156376
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -26.040
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -34.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -319.812225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.812225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.812225 (E_RNA)
where:
Base-Base interactions energy: -220.959
where: short stacking energy: -100.101
Base-Backbone interact. energy: -0.709
local terms energy: -98.144132
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -284.935861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.935861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.935861 (E_RNA)
where:
Base-Base interactions energy: -182.839
where: short stacking energy: -81.227
Base-Backbone interact. energy: -0.417
local terms energy: -101.679941
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -284.274920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.274920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.274920 (E_RNA)
where:
Base-Base interactions energy: -185.617
where: short stacking energy: -75.433
Base-Backbone interact. energy: 0.120
local terms energy: -98.778605
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -257.841755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.841755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.841755 (E_RNA)
where:
Base-Base interactions energy: -172.042
where: short stacking energy: -75.477
Base-Backbone interact. energy: -0.326
local terms energy: -85.474011
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -23.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -178.470689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.470689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.470689 (E_RNA)
where:
Base-Base interactions energy: -100.948
where: short stacking energy: -44.493
Base-Backbone interact. energy: 0.431
local terms energy: -77.954086
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -116.355436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.355436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.355436 (E_RNA)
where:
Base-Base interactions energy: -45.987
where: short stacking energy: -45.987
Base-Backbone interact. energy: -1.227
local terms energy: -69.142334
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -112.938193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.938193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.938193 (E_RNA)
where:
Base-Base interactions energy: -49.046
where: short stacking energy: -45.738
Base-Backbone interact. energy: 1.895
local terms energy: -65.786796
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -107.424994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.424994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.424994 (E_RNA)
where:
Base-Base interactions energy: -35.501
where: short stacking energy: -32.001
Base-Backbone interact. energy: -0.316
local terms energy: -71.607795
where:
bonds (distance) C4'-P energy: -21.983
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: 1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -348.117837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.117837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.117837 (E_RNA)
where:
Base-Base interactions energy: -238.897
where: short stacking energy: -100.713
Base-Backbone interact. energy: -0.373
local terms energy: -108.847771
where:
bonds (distance) C4'-P energy: -25.163
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -24.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -366.532133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.532133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.532133 (E_RNA)
where:
Base-Base interactions energy: -247.094
where: short stacking energy: -110.467
Base-Backbone interact. energy: -0.133
local terms energy: -119.305172
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -33.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -322.609533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.609533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.609533 (E_RNA)
where:
Base-Base interactions energy: -205.424
where: short stacking energy: -94.006
Base-Backbone interact. energy: -0.046
local terms energy: -117.140082
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -31.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -282.517577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.517577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.517577 (E_RNA)
where:
Base-Base interactions energy: -168.777
where: short stacking energy: -84.298
Base-Backbone interact. energy: 0.339
local terms energy: -114.080274
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -29.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -231.718329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.718329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.718329 (E_RNA)
where:
Base-Base interactions energy: -140.885
where: short stacking energy: -73.868
Base-Backbone interact. energy: -0.389
local terms energy: -90.444480
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -257.783475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.783475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.783475 (E_RNA)
where:
Base-Base interactions energy: -163.967
where: short stacking energy: -72.323
Base-Backbone interact. energy: -0.228
local terms energy: -93.588499
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -21.392
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: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -198.724934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.724934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.724934 (E_RNA)
where:
Base-Base interactions energy: -120.107
where: short stacking energy: -62.419
Base-Backbone interact. energy: 0.434
local terms energy: -79.052333
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -10.495
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: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -137.670129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.670129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.670129 (E_RNA)
where:
Base-Base interactions energy: -53.584
where: short stacking energy: -35.463
Base-Backbone interact. energy: -0.172
local terms energy: -83.914375
where:
bonds (distance) C4'-P energy: -24.300
bonds (distance) P-C4' energy: -26.246
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -111.236794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.236794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.236794 (E_RNA)
where:
Base-Base interactions energy: -33.631
where: short stacking energy: -33.033
Base-Backbone interact. energy: 0.089
local terms energy: -77.694556
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -103.938126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.938126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.938126 (E_RNA)
where:
Base-Base interactions energy: -37.562
where: short stacking energy: -32.058
Base-Backbone interact. energy: -0.551
local terms energy: -65.825101
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -366.220245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.220245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.220245 (E_RNA)
where:
Base-Base interactions energy: -259.177
where: short stacking energy: -103.994
Base-Backbone interact. energy: 0.556
local terms energy: -107.598728
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -28.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -367.420759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.420759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.420759 (E_RNA)
where:
Base-Base interactions energy: -250.006
where: short stacking energy: -113.741
Base-Backbone interact. energy: -0.105
local terms energy: -117.309603
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -27.913
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -31.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -305.992257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.992257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.992257 (E_RNA)
where:
Base-Base interactions energy: -199.238
where: short stacking energy: -82.986
Base-Backbone interact. energy: -0.169
local terms energy: -106.585489
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -20.807
tors. eta vs tors. theta energy: -23.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -279.451112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.451112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.451112 (E_RNA)
where:
Base-Base interactions energy: -196.335
where: short stacking energy: -101.737
Base-Backbone interact. energy: -0.119
local terms energy: -82.997253
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -241.808240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.808240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.808240 (E_RNA)
where:
Base-Base interactions energy: -144.190
where: short stacking energy: -77.214
Base-Backbone interact. energy: 0.777
local terms energy: -98.395351
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -26.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -256.581059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.581059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.581059 (E_RNA)
where:
Base-Base interactions energy: -167.237
where: short stacking energy: -66.197
Base-Backbone interact. energy: -2.025
local terms energy: -87.318512
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -184.186078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.186078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.186078 (E_RNA)
where:
Base-Base interactions energy: -97.814
where: short stacking energy: -55.479
Base-Backbone interact. energy: -0.458
local terms energy: -85.914235
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -16.813
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: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -127.944448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.944448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.944448 (E_RNA)
where:
Base-Base interactions energy: -47.241
where: short stacking energy: -33.555
Base-Backbone interact. energy: -0.580
local terms energy: -80.124008
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -112.101490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.101490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.101490 (E_RNA)
where:
Base-Base interactions energy: -35.433
where: short stacking energy: -34.819
Base-Backbone interact. energy: 0.684
local terms energy: -77.352038
where:
bonds (distance) C4'-P energy: -25.282
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -128.049490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.049490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.049490 (E_RNA)
where:
Base-Base interactions energy: -56.938
where: short stacking energy: -39.927
Base-Backbone interact. energy: -0.710
local terms energy: -70.400976
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -20.633
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -377.432779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.432779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.432779 (E_RNA)
where:
Base-Base interactions energy: -258.958
where: short stacking energy: -120.686
Base-Backbone interact. energy: -0.074
local terms energy: -118.400846
where:
bonds (distance) C4'-P energy: -24.169
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -34.818
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: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -349.850445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.850445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.850445 (E_RNA)
where:
Base-Base interactions energy: -238.338
where: short stacking energy: -98.446
Base-Backbone interact. energy: -1.859
local terms energy: -109.653771
where:
bonds (distance) C4'-P energy: -23.840
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -24.928
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: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -318.368663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.368663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.368663 (E_RNA)
where:
Base-Base interactions energy: -213.470
where: short stacking energy: -96.761
Base-Backbone interact. energy: -0.478
local terms energy: -104.420455
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -25.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -284.625802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.625802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.625802 (E_RNA)
where:
Base-Base interactions energy: -177.787
where: short stacking energy: -75.488
Base-Backbone interact. energy: -1.208
local terms energy: -105.630518
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: -19.809
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: 5, replica: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -246.523142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.523142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.523142 (E_RNA)
where:
Base-Base interactions energy: -144.614
where: short stacking energy: -66.878
Base-Backbone interact. energy: 0.466
local terms energy: -102.374594
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -231.211526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.211526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.211526 (E_RNA)
where:
Base-Base interactions energy: -139.604
where: short stacking energy: -59.980
Base-Backbone interact. energy: 1.494
local terms energy: -93.101342
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -27.535
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -202.033295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.033295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.033295 (E_RNA)
where:
Base-Base interactions energy: -109.720
where: short stacking energy: -67.755
Base-Backbone interact. energy: 1.173
local terms energy: -93.486793
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -25.748
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -112.340721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.340721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.340721 (E_RNA)
where:
Base-Base interactions energy: -38.140
where: short stacking energy: -35.582
Base-Backbone interact. energy: -0.165
local terms energy: -74.035632
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -10.754
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: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -122.571995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.571995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.571995 (E_RNA)
where:
Base-Base interactions energy: -44.472
where: short stacking energy: -43.400
Base-Backbone interact. energy: -0.097
local terms energy: -78.003312
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -101.457218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.457218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.457218 (E_RNA)
where:
Base-Base interactions energy: -38.244
where: short stacking energy: -31.693
Base-Backbone interact. energy: -0.112
local terms energy: -63.101858
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: 2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -364.191786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.191786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.191786 (E_RNA)
where:
Base-Base interactions energy: -242.588
where: short stacking energy: -103.417
Base-Backbone interact. energy: -0.075
local terms energy: -121.528758
where:
bonds (distance) C4'-P energy: -25.045
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -30.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -316.187104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.187104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.187104 (E_RNA)
where:
Base-Base interactions energy: -212.390
where: short stacking energy: -85.481
Base-Backbone interact. energy: -1.671
local terms energy: -102.125944
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -24.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -347.440951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.440951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.440951 (E_RNA)
where:
Base-Base interactions energy: -245.614
where: short stacking energy: -90.030
Base-Backbone interact. energy: 0.744
local terms energy: -102.570347
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -26.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -286.624270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.624270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.624270 (E_RNA)
where:
Base-Base interactions energy: -187.958
where: short stacking energy: -82.162
Base-Backbone interact. energy: -0.914
local terms energy: -97.752646
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -25.776
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -242.732067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.732067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.732067 (E_RNA)
where:
Base-Base interactions energy: -147.462
where: short stacking energy: -84.478
Base-Backbone interact. energy: -0.104
local terms energy: -95.165705
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -195.690510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.690510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.690510 (E_RNA)
where:
Base-Base interactions energy: -115.717
where: short stacking energy: -71.349
Base-Backbone interact. energy: -0.933
local terms energy: -79.041240
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -225.830000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.830000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.830000 (E_RNA)
where:
Base-Base interactions energy: -136.595
where: short stacking energy: -66.247
Base-Backbone interact. energy: -0.053
local terms energy: -89.181963
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -121.599338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.599338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.599338 (E_RNA)
where:
Base-Base interactions energy: -46.773
where: short stacking energy: -43.320
Base-Backbone interact. energy: -0.300
local terms energy: -74.526808
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -115.790193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.790193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.790193 (E_RNA)
where:
Base-Base interactions energy: -46.849
where: short stacking energy: -42.090
Base-Backbone interact. energy: -0.395
local terms energy: -68.546739
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -105.247211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.247211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.247211 (E_RNA)
where:
Base-Base interactions energy: -48.088
where: short stacking energy: -40.794
Base-Backbone interact. energy: -0.340
local terms energy: -56.818620
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: 1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -379.078352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.078352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.078352 (E_RNA)
where:
Base-Base interactions energy: -254.389
where: short stacking energy: -112.105
Base-Backbone interact. energy: -0.026
local terms energy: -124.663717
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -18.233
tors. eta vs tors. theta energy: -34.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -321.602593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.602593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.602593 (E_RNA)
where:
Base-Base interactions energy: -226.185
where: short stacking energy: -98.379
Base-Backbone interact. energy: -0.930
local terms energy: -94.487223
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -23.981
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -341.243890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.243890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.243890 (E_RNA)
where:
Base-Base interactions energy: -243.580
where: short stacking energy: -96.430
Base-Backbone interact. energy: 0.104
local terms energy: -97.767774
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -23.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -292.653495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.653495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.653495 (E_RNA)
where:
Base-Base interactions energy: -195.731
where: short stacking energy: -91.941
Base-Backbone interact. energy: -0.191
local terms energy: -96.731450
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -25.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -200.117334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.117334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.117334 (E_RNA)
where:
Base-Base interactions energy: -109.858
where: short stacking energy: -63.867
Base-Backbone interact. energy: 0.516
local terms energy: -90.774864
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -23.890
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -230.456693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.456693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.456693 (E_RNA)
where:
Base-Base interactions energy: -138.608
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.230
local terms energy: -91.619507
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -247.535137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.535137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.535137 (E_RNA)
where:
Base-Base interactions energy: -155.609
where: short stacking energy: -76.722
Base-Backbone interact. energy: 0.935
local terms energy: -92.861293
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -141.379532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.379532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.379532 (E_RNA)
where:
Base-Base interactions energy: -63.103
where: short stacking energy: -42.138
Base-Backbone interact. energy: -0.399
local terms energy: -77.877398
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -122.100486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.100486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.100486 (E_RNA)
where:
Base-Base interactions energy: -48.603
where: short stacking energy: -32.476
Base-Backbone interact. energy: -0.045
local terms energy: -73.452493
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: 2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -116.295245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.295245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.295245 (E_RNA)
where:
Base-Base interactions energy: -38.647
where: short stacking energy: -36.677
Base-Backbone interact. energy: -0.094
local terms energy: -77.553859
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -374.295850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.295850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.295850 (E_RNA)
where:
Base-Base interactions energy: -255.488
where: short stacking energy: -112.508
Base-Backbone interact. energy: -0.013
local terms energy: -118.795062
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -34.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -330.169140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.169140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.169140 (E_RNA)
where:
Base-Base interactions energy: -218.294
where: short stacking energy: -96.702
Base-Backbone interact. energy: 2.026
local terms energy: -113.901259
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -25.199
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -29.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -324.443872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.443872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.443872 (E_RNA)
where:
Base-Base interactions energy: -214.769
where: short stacking energy: -90.901
Base-Backbone interact. energy: 0.675
local terms energy: -110.349734
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -22.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -282.695335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.695335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.695335 (E_RNA)
where:
Base-Base interactions energy: -172.078
where: short stacking energy: -78.388
Base-Backbone interact. energy: -0.850
local terms energy: -109.767434
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -195.027932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.027932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.027932 (E_RNA)
where:
Base-Base interactions energy: -102.955
where: short stacking energy: -60.394
Base-Backbone interact. energy: -0.370
local terms energy: -91.702844
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -27.824
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -269.690490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.690490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.690490 (E_RNA)
where:
Base-Base interactions energy: -168.066
where: short stacking energy: -80.169
Base-Backbone interact. energy: -0.357
local terms energy: -101.267683
where:
bonds (distance) C4'-P energy: -24.719
bonds (distance) P-C4' energy: -28.912
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -17.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -218.882039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.882039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.882039 (E_RNA)
where:
Base-Base interactions energy: -130.131
where: short stacking energy: -61.802
Base-Backbone interact. energy: -0.641
local terms energy: -88.110265
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -125.705454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.705454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.705454 (E_RNA)
where:
Base-Base interactions energy: -42.715
where: short stacking energy: -42.715
Base-Backbone interact. energy: -0.468
local terms energy: -82.522120
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -129.773420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.773420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.773420 (E_RNA)
where:
Base-Base interactions energy: -56.290
where: short stacking energy: -37.940
Base-Backbone interact. energy: -0.706
local terms energy: -72.777792
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -24.681
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -2.932
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: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -113.201290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.201290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.201290 (E_RNA)
where:
Base-Base interactions energy: -57.877
where: short stacking energy: -51.480
Base-Backbone interact. energy: 1.966
local terms energy: -57.290691
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -347.151964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.151964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.151964 (E_RNA)
where:
Base-Base interactions energy: -232.753
where: short stacking energy: -106.021
Base-Backbone interact. energy: -0.407
local terms energy: -113.991961
where:
bonds (distance) C4'-P energy: -20.143
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -31.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -358.342770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.342770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.342770 (E_RNA)
where:
Base-Base interactions energy: -238.975
where: short stacking energy: -112.004
Base-Backbone interact. energy: -0.002
local terms energy: -119.365598
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -27.135
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -33.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -317.711486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.711486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.711486 (E_RNA)
where:
Base-Base interactions energy: -210.441
where: short stacking energy: -90.981
Base-Backbone interact. energy: 0.540
local terms energy: -107.810361
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -23.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -280.179677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.179677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.179677 (E_RNA)
where:
Base-Base interactions energy: -185.733
where: short stacking energy: -85.672
Base-Backbone interact. energy: -0.307
local terms energy: -94.139297
where:
bonds (distance) C4'-P energy: -22.423
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -278.556824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.556824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.556824 (E_RNA)
where:
Base-Base interactions energy: -174.159
where: short stacking energy: -83.467
Base-Backbone interact. energy: -0.068
local terms energy: -104.329747
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -205.275818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.275818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.275818 (E_RNA)
where:
Base-Base interactions energy: -120.859
where: short stacking energy: -65.399
Base-Backbone interact. energy: -0.600
local terms energy: -83.816682
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -25.715
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -10.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -205.240920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.240920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.240920 (E_RNA)
where:
Base-Base interactions energy: -118.717
where: short stacking energy: -53.887
Base-Backbone interact. energy: -0.118
local terms energy: -86.405345
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -10.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -126.837814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.837814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.837814 (E_RNA)
where:
Base-Base interactions energy: -52.605
where: short stacking energy: -44.899
Base-Backbone interact. energy: 0.646
local terms energy: -74.879113
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -112.424225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.424225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.424225 (E_RNA)
where:
Base-Base interactions energy: -48.690
where: short stacking energy: -31.500
Base-Backbone interact. energy: -0.240
local terms energy: -63.493683
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: 2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -131.258047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.258047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.258047 (E_RNA)
where:
Base-Base interactions energy: -64.345
where: short stacking energy: -38.175
Base-Backbone interact. energy: -0.291
local terms energy: -66.622085
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -338.395417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.395417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.395417 (E_RNA)
where:
Base-Base interactions energy: -225.485
where: short stacking energy: -104.625
Base-Backbone interact. energy: -0.752
local terms energy: -112.157903
where:
bonds (distance) C4'-P energy: -19.920
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -29.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -366.251399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.251399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.251399 (E_RNA)
where:
Base-Base interactions energy: -240.436
where: short stacking energy: -106.429
Base-Backbone interact. energy: -0.035
local terms energy: -125.780387
where:
bonds (distance) C4'-P energy: -26.023
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -34.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -327.352267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.352267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.352267 (E_RNA)
where:
Base-Base interactions energy: -220.588
where: short stacking energy: -86.184
Base-Backbone interact. energy: -0.624
local terms energy: -106.140093
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -24.581
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -297.920108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.920108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.920108 (E_RNA)
where:
Base-Base interactions energy: -195.636
where: short stacking energy: -86.496
Base-Backbone interact. energy: -0.745
local terms energy: -101.539663
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -26.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -269.323370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.323370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.323370 (E_RNA)
where:
Base-Base interactions energy: -171.982
where: short stacking energy: -74.671
Base-Backbone interact. energy: -1.375
local terms energy: -95.966193
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -223.314673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.314673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.314673 (E_RNA)
where:
Base-Base interactions energy: -140.190
where: short stacking energy: -70.720
Base-Backbone interact. energy: -0.163
local terms energy: -82.961738
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -187.423748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.423748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.423748 (E_RNA)
where:
Base-Base interactions energy: -108.550
where: short stacking energy: -61.877
Base-Backbone interact. energy: -0.905
local terms energy: -77.968835
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -126.135203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.135203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.135203 (E_RNA)
where:
Base-Base interactions energy: -55.335
where: short stacking energy: -46.227
Base-Backbone interact. energy: -0.791
local terms energy: -70.009167
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -196.565638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.565638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.565638 (E_RNA)
where:
Base-Base interactions energy: -124.204
where: short stacking energy: -67.968
Base-Backbone interact. energy: -0.441
local terms energy: -71.920876
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -170.089281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.089281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.089281 (E_RNA)
where:
Base-Base interactions energy: -95.145
where: short stacking energy: -46.358
Base-Backbone interact. energy: -0.688
local terms energy: -74.255720
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -3.653
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -351.474623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.474623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.474623 (E_RNA)
where:
Base-Base interactions energy: -231.656
where: short stacking energy: -107.229
Base-Backbone interact. energy: -0.074
local terms energy: -119.744583
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -23.997
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -32.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -334.235542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.235542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.235542 (E_RNA)
where:
Base-Base interactions energy: -225.867
where: short stacking energy: -95.193
Base-Backbone interact. energy: -0.976
local terms energy: -107.393256
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -25.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -333.626622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.626622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.626622 (E_RNA)
where:
Base-Base interactions energy: -214.104
where: short stacking energy: -101.410
Base-Backbone interact. energy: -0.943
local terms energy: -118.579197
where:
bonds (distance) C4'-P energy: -26.913
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -27.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -291.296956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.296956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.296956 (E_RNA)
where:
Base-Base interactions energy: -179.319
where: short stacking energy: -89.256
Base-Backbone interact. energy: -0.008
local terms energy: -111.970169
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -24.737
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -29.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -233.957129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.957129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.957129 (E_RNA)
where:
Base-Base interactions energy: -150.614
where: short stacking energy: -80.879
Base-Backbone interact. energy: -0.086
local terms energy: -83.256916
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -265.881411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.881411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.881411 (E_RNA)
where:
Base-Base interactions energy: -169.338
where: short stacking energy: -73.470
Base-Backbone interact. energy: -0.169
local terms energy: -96.374787
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -180.855558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.855558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.855558 (E_RNA)
where:
Base-Base interactions energy: -86.244
where: short stacking energy: -53.619
Base-Backbone interact. energy: -0.395
local terms energy: -94.216879
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -124.171892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.171892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.171892 (E_RNA)
where:
Base-Base interactions energy: -40.900
where: short stacking energy: -34.114
Base-Backbone interact. energy: -0.254
local terms energy: -83.018150
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -198.668210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.668210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.668210 (E_RNA)
where:
Base-Base interactions energy: -110.344
where: short stacking energy: -56.047
Base-Backbone interact. energy: -0.102
local terms energy: -88.222750
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -111.266545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.266545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.266545 (E_RNA)
where:
Base-Base interactions energy: -47.493
where: short stacking energy: -46.257
Base-Backbone interact. energy: -0.048
local terms energy: -63.725104
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -7.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -368.600051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.600051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.600051 (E_RNA)
where:
Base-Base interactions energy: -246.072
where: short stacking energy: -103.303
Base-Backbone interact. energy: -0.023
local terms energy: -122.504948
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -24.073
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -35.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -348.947820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.947820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.947820 (E_RNA)
where:
Base-Base interactions energy: -239.180
where: short stacking energy: -101.386
Base-Backbone interact. energy: -0.330
local terms energy: -109.437621
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -26.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -335.892831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.892831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.892831 (E_RNA)
where:
Base-Base interactions energy: -228.721
where: short stacking energy: -103.541
Base-Backbone interact. energy: -0.164
local terms energy: -107.008287
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -281.516529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.516529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.516529 (E_RNA)
where:
Base-Base interactions energy: -180.671
where: short stacking energy: -91.660
Base-Backbone interact. energy: -0.057
local terms energy: -100.789179
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -243.577907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.577907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.577907 (E_RNA)
where:
Base-Base interactions energy: -153.648
where: short stacking energy: -61.412
Base-Backbone interact. energy: -0.506
local terms energy: -89.424658
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -15.028
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: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -266.164047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.164047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.164047 (E_RNA)
where:
Base-Base interactions energy: -178.636
where: short stacking energy: -83.954
Base-Backbone interact. energy: 0.709
local terms energy: -88.237685
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -209.019586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.019586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.019586 (E_RNA)
where:
Base-Base interactions energy: -124.716
where: short stacking energy: -57.674
Base-Backbone interact. energy: 0.056
local terms energy: -84.358935
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -229.767132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.767132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.767132 (E_RNA)
where:
Base-Base interactions energy: -156.687
where: short stacking energy: -64.706
Base-Backbone interact. energy: 0.083
local terms energy: -73.162682
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -130.452487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.452487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.452487 (E_RNA)
where:
Base-Base interactions energy: -46.608
where: short stacking energy: -45.846
Base-Backbone interact. energy: -0.295
local terms energy: -83.550364
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -18.868
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -116.151440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.151440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.151440 (E_RNA)
where:
Base-Base interactions energy: -45.239
where: short stacking energy: -37.001
Base-Backbone interact. energy: 2.373
local terms energy: -73.284911
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -368.336694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.336694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.336694 (E_RNA)
where:
Base-Base interactions energy: -249.162
where: short stacking energy: -108.849
Base-Backbone interact. energy: -0.015
local terms energy: -119.159195
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -34.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -353.583504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.583504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.583504 (E_RNA)
where:
Base-Base interactions energy: -242.437
where: short stacking energy: -111.709
Base-Backbone interact. energy: -0.344
local terms energy: -110.802283
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -23.059
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -29.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -325.235203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.235203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.235203 (E_RNA)
where:
Base-Base interactions energy: -231.174
where: short stacking energy: -96.529
Base-Backbone interact. energy: 0.292
local terms energy: -94.353984
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -21.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -277.709349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.709349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.709349 (E_RNA)
where:
Base-Base interactions energy: -179.646
where: short stacking energy: -84.187
Base-Backbone interact. energy: -0.088
local terms energy: -97.975588
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -20.733
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: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -259.654567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.654567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.654567 (E_RNA)
where:
Base-Base interactions energy: -167.110
where: short stacking energy: -78.340
Base-Backbone interact. energy: -0.104
local terms energy: -92.440824
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -258.232506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.232506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.232506 (E_RNA)
where:
Base-Base interactions energy: -162.633
where: short stacking energy: -77.276
Base-Backbone interact. energy: -0.766
local terms energy: -94.833365
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -256.615828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.615828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.615828 (E_RNA)
where:
Base-Base interactions energy: -168.942
where: short stacking energy: -74.618
Base-Backbone interact. energy: -0.006
local terms energy: -87.668267
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -13.079
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: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -196.844446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.844446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.844446 (E_RNA)
where:
Base-Base interactions energy: -118.502
where: short stacking energy: -44.673
Base-Backbone interact. energy: -0.464
local terms energy: -77.878366
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -125.645109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.645109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.645109 (E_RNA)
where:
Base-Base interactions energy: -60.056
where: short stacking energy: -55.186
Base-Backbone interact. energy: 0.032
local terms energy: -65.621324
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -8.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -104.263264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.263264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.263264 (E_RNA)
where:
Base-Base interactions energy: -39.906
where: short stacking energy: -36.645
Base-Backbone interact. energy: -0.447
local terms energy: -63.909634
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: 2.889
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: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -369.237311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.237311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.237311 (E_RNA)
where:
Base-Base interactions energy: -253.296
where: short stacking energy: -108.949
Base-Backbone interact. energy: 0.692
local terms energy: -116.633366
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -23.785
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -34.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -331.309772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.309772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.309772 (E_RNA)
where:
Base-Base interactions energy: -221.169
where: short stacking energy: -91.978
Base-Backbone interact. energy: -0.745
local terms energy: -109.395830
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -23.136
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -25.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -331.269867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.269867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.269867 (E_RNA)
where:
Base-Base interactions energy: -226.965
where: short stacking energy: -98.379
Base-Backbone interact. energy: -1.398
local terms energy: -102.907342
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -23.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -295.702842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.702842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.702842 (E_RNA)
where:
Base-Base interactions energy: -184.623
where: short stacking energy: -99.753
Base-Backbone interact. energy: -0.094
local terms energy: -110.986025
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -26.330
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -27.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -283.836026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.836026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.836026 (E_RNA)
where:
Base-Base interactions energy: -180.204
where: short stacking energy: -89.619
Base-Backbone interact. energy: -0.078
local terms energy: -103.554018
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -22.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -270.938274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.938274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.938274 (E_RNA)
where:
Base-Base interactions energy: -176.046
where: short stacking energy: -83.586
Base-Backbone interact. energy: -0.218
local terms energy: -94.674449
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -19.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -248.159067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.159067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.159067 (E_RNA)
where:
Base-Base interactions energy: -150.037
where: short stacking energy: -73.760
Base-Backbone interact. energy: -0.792
local terms energy: -97.330188
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -126.865446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.865446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.865446 (E_RNA)
where:
Base-Base interactions energy: -43.978
where: short stacking energy: -43.080
Base-Backbone interact. energy: 1.945
local terms energy: -84.833036
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -161.538483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.538483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.538483 (E_RNA)
where:
Base-Base interactions energy: -92.774
where: short stacking energy: -50.662
Base-Backbone interact. energy: 0.368
local terms energy: -69.132246
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -4.225
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: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -114.258669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.258669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.258669 (E_RNA)
where:
Base-Base interactions energy: -47.452
where: short stacking energy: -44.536
Base-Backbone interact. energy: -0.381
local terms energy: -66.425140
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: 0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -347.114469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.114469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.114469 (E_RNA)
where:
Base-Base interactions energy: -233.903
where: short stacking energy: -101.164
Base-Backbone interact. energy: -0.593
local terms energy: -112.618547
where:
bonds (distance) C4'-P energy: -26.044
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -25.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -367.220010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.220010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.220010 (E_RNA)
where:
Base-Base interactions energy: -252.876
where: short stacking energy: -109.676
Base-Backbone interact. energy: -0.409
local terms energy: -113.934625
where:
bonds (distance) C4'-P energy: -21.368
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -33.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -347.992503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.992503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.992503 (E_RNA)
where:
Base-Base interactions energy: -236.572
where: short stacking energy: -110.922
Base-Backbone interact. energy: 0.601
local terms energy: -112.021428
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -24.175
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -32.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -284.364560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.364560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.364560 (E_RNA)
where:
Base-Base interactions energy: -190.161
where: short stacking energy: -66.032
Base-Backbone interact. energy: -1.161
local terms energy: -93.043074
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -276.697510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.697510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.697510 (E_RNA)
where:
Base-Base interactions energy: -183.142
where: short stacking energy: -80.310
Base-Backbone interact. energy: 1.978
local terms energy: -95.534052
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -24.602
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -273.076855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.076855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.076855 (E_RNA)
where:
Base-Base interactions energy: -169.973
where: short stacking energy: -87.830
Base-Backbone interact. energy: -0.010
local terms energy: -103.093787
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -22.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -216.870853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.870853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.870853 (E_RNA)
where:
Base-Base interactions energy: -123.116
where: short stacking energy: -58.261
Base-Backbone interact. energy: -1.060
local terms energy: -92.695286
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -116.400693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.400693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.400693 (E_RNA)
where:
Base-Base interactions energy: -37.646
where: short stacking energy: -24.168
Base-Backbone interact. energy: -0.521
local terms energy: -78.233594
where:
bonds (distance) C4'-P energy: -20.326
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -122.482660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.482660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.482660 (E_RNA)
where:
Base-Base interactions energy: -44.917
where: short stacking energy: -44.917
Base-Backbone interact. energy: -0.353
local terms energy: -77.212399
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -105.990719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.990719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.990719 (E_RNA)
where:
Base-Base interactions energy: -41.805
where: short stacking energy: -31.682
Base-Backbone interact. energy: -0.121
local terms energy: -64.064490
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: 3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -338.937341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.937341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.937341 (E_RNA)
where:
Base-Base interactions energy: -227.088
where: short stacking energy: -97.763
Base-Backbone interact. energy: -0.583
local terms energy: -111.266749
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -369.233650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.233650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.233650 (E_RNA)
where:
Base-Base interactions energy: -250.522
where: short stacking energy: -114.421
Base-Backbone interact. energy: -0.322
local terms energy: -118.389665
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -33.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -338.302795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.302795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.302795 (E_RNA)
where:
Base-Base interactions energy: -225.929
where: short stacking energy: -108.014
Base-Backbone interact. energy: -0.172
local terms energy: -112.202469
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -29.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -299.823824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.823824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.823824 (E_RNA)
where:
Base-Base interactions energy: -198.081
where: short stacking energy: -83.525
Base-Backbone interact. energy: 0.381
local terms energy: -102.123790
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -279.768699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.768699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.768699 (E_RNA)
where:
Base-Base interactions energy: -183.060
where: short stacking energy: -73.792
Base-Backbone interact. energy: -0.595
local terms energy: -96.114136
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -269.828628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.828628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.828628 (E_RNA)
where:
Base-Base interactions energy: -169.990
where: short stacking energy: -90.675
Base-Backbone interact. energy: -1.477
local terms energy: -98.361963
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -18.064
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: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -188.607659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.607659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.607659 (E_RNA)
where:
Base-Base interactions energy: -109.254
where: short stacking energy: -54.179
Base-Backbone interact. energy: 1.188
local terms energy: -80.541848
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -20.783
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -123.003550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.003550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.003550 (E_RNA)
where:
Base-Base interactions energy: -49.796
where: short stacking energy: -32.766
Base-Backbone interact. energy: -0.753
local terms energy: -72.454774
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -15.195
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: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -122.341160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.341160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.341160 (E_RNA)
where:
Base-Base interactions energy: -37.909
where: short stacking energy: -34.669
Base-Backbone interact. energy: -0.140
local terms energy: -84.292006
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -10.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -120.653878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.653878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.653878 (E_RNA)
where:
Base-Base interactions energy: -40.797
where: short stacking energy: -39.802
Base-Backbone interact. energy: 0.357
local terms energy: -80.213863
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -369.982101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.982101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.982101 (E_RNA)
where:
Base-Base interactions energy: -248.035
where: short stacking energy: -104.176
Base-Backbone interact. energy: -1.227
local terms energy: -120.720775
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -35.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -323.952146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.952146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.952146 (E_RNA)
where:
Base-Base interactions energy: -226.351
where: short stacking energy: -100.783
Base-Backbone interact. energy: -0.127
local terms energy: -97.474798
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -337.248909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.248909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.248909 (E_RNA)
where:
Base-Base interactions energy: -222.905
where: short stacking energy: -92.640
Base-Backbone interact. energy: -0.144
local terms energy: -114.199215
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -27.791
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -27.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -300.355199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.355199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.355199 (E_RNA)
where:
Base-Base interactions energy: -196.878
where: short stacking energy: -92.372
Base-Backbone interact. energy: -0.746
local terms energy: -102.732058
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -24.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -305.948436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.948436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.948436 (E_RNA)
where:
Base-Base interactions energy: -208.653
where: short stacking energy: -87.586
Base-Backbone interact. energy: -0.189
local terms energy: -97.106564
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -24.196
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: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -281.152962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.152962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.152962 (E_RNA)
where:
Base-Base interactions energy: -179.604
where: short stacking energy: -84.320
Base-Backbone interact. energy: -0.303
local terms energy: -101.245610
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -153.502856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.502856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.502856 (E_RNA)
where:
Base-Base interactions energy: -82.547
where: short stacking energy: -39.372
Base-Backbone interact. energy: -1.383
local terms energy: -69.573020
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -126.101586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.101586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.101586 (E_RNA)
where:
Base-Base interactions energy: -47.956
where: short stacking energy: -46.842
Base-Backbone interact. energy: -0.235
local terms energy: -77.910219
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -115.476151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.476151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.476151 (E_RNA)
where:
Base-Base interactions energy: -58.385
where: short stacking energy: -34.600
Base-Backbone interact. energy: -0.597
local terms energy: -56.493733
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: 1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -103.088295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.088295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.088295 (E_RNA)
where:
Base-Base interactions energy: -43.168
where: short stacking energy: -36.048
Base-Backbone interact. energy: -0.401
local terms energy: -59.519403
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -371.305995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.305995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.305995 (E_RNA)
where:
Base-Base interactions energy: -252.915
where: short stacking energy: -109.244
Base-Backbone interact. energy: -0.124
local terms energy: -118.267530
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -24.577
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -31.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -344.145970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.145970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.145970 (E_RNA)
where:
Base-Base interactions energy: -225.579
where: short stacking energy: -101.360
Base-Backbone interact. energy: -0.451
local terms energy: -118.116272
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -25.935
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -28.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -329.599152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.599152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.599152 (E_RNA)
where:
Base-Base interactions energy: -224.094
where: short stacking energy: -100.511
Base-Backbone interact. energy: -0.802
local terms energy: -104.703638
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -31.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -300.844254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.844254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.844254 (E_RNA)
where:
Base-Base interactions energy: -199.028
where: short stacking energy: -91.771
Base-Backbone interact. energy: 0.535
local terms energy: -102.351076
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -275.560608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.560608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.560608 (E_RNA)
where:
Base-Base interactions energy: -170.034
where: short stacking energy: -80.152
Base-Backbone interact. energy: -0.292
local terms energy: -105.234555
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -26.486
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -278.471400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.471400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.471400 (E_RNA)
where:
Base-Base interactions energy: -176.352
where: short stacking energy: -80.149
Base-Backbone interact. energy: 0.020
local terms energy: -102.139769
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -22.354
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -165.720762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.720762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.720762 (E_RNA)
where:
Base-Base interactions energy: -77.528
where: short stacking energy: -54.320
Base-Backbone interact. energy: 0.157
local terms energy: -88.349524
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -11.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -122.419171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.419171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.419171 (E_RNA)
where:
Base-Base interactions energy: -52.776
where: short stacking energy: -41.689
Base-Backbone interact. energy: 2.301
local terms energy: -71.944652
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -115.079904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.079904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.079904 (E_RNA)
where:
Base-Base interactions energy: -47.018
where: short stacking energy: -36.931
Base-Backbone interact. energy: -0.337
local terms energy: -67.725581
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -10.765
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: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -119.376939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.376939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.376939 (E_RNA)
where:
Base-Base interactions energy: -50.370
where: short stacking energy: -39.742
Base-Backbone interact. energy: 0.260
local terms energy: -69.267191
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -22.479
flat angles P-C4'-P energy: -10.339
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: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -373.981612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.981612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.981612 (E_RNA)
where:
Base-Base interactions energy: -254.631
where: short stacking energy: -112.849
Base-Backbone interact. energy: -0.070
local terms energy: -119.281179
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -23.561
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -34.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -342.353870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.353870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.353870 (E_RNA)
where:
Base-Base interactions energy: -229.374
where: short stacking energy: -104.826
Base-Backbone interact. energy: -0.138
local terms energy: -112.842054
where:
bonds (distance) C4'-P energy: -23.695
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -30.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -349.663635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.663635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.663635 (E_RNA)
where:
Base-Base interactions energy: -234.223
where: short stacking energy: -103.287
Base-Backbone interact. energy: -1.173
local terms energy: -114.268230
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -25.014
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: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -280.209122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.209122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.209122 (E_RNA)
where:
Base-Base interactions energy: -182.563
where: short stacking energy: -78.265
Base-Backbone interact. energy: -0.179
local terms energy: -97.466747
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -287.732062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.732062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.732062 (E_RNA)
where:
Base-Base interactions energy: -188.606
where: short stacking energy: -93.946
Base-Backbone interact. energy: -0.003
local terms energy: -99.123004
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -28.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -255.448144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.448144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.448144 (E_RNA)
where:
Base-Base interactions energy: -160.574
where: short stacking energy: -72.773
Base-Backbone interact. energy: -0.699
local terms energy: -94.175263
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -140.863856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.863856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.863856 (E_RNA)
where:
Base-Base interactions energy: -56.429
where: short stacking energy: -50.472
Base-Backbone interact. energy: -0.124
local terms energy: -84.310624
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -174.846268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.846268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.846268 (E_RNA)
where:
Base-Base interactions energy: -106.108
where: short stacking energy: -55.154
Base-Backbone interact. energy: -0.025
local terms energy: -68.713475
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -14.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -135.651796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.651796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.651796 (E_RNA)
where:
Base-Base interactions energy: -57.896
where: short stacking energy: -36.363
Base-Backbone interact. energy: 0.228
local terms energy: -77.983151
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -126.664946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.664946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.664946 (E_RNA)
where:
Base-Base interactions energy: -49.472
where: short stacking energy: -31.599
Base-Backbone interact. energy: -0.383
local terms energy: -76.810317
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -26.632
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -12.545
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: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -365.611907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.611907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.611907 (E_RNA)
where:
Base-Base interactions energy: -244.504
where: short stacking energy: -111.630
Base-Backbone interact. energy: -0.044
local terms energy: -121.064593
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -25.932
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -34.800
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: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -336.563835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.563835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.563835 (E_RNA)
where:
Base-Base interactions energy: -240.105
where: short stacking energy: -109.542
Base-Backbone interact. energy: 0.537
local terms energy: -96.995483
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -27.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -348.266101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.266101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.266101 (E_RNA)
where:
Base-Base interactions energy: -239.934
where: short stacking energy: -94.170
Base-Backbone interact. energy: -0.684
local terms energy: -107.648818
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -17.585
tors. eta vs tors. theta energy: -25.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -287.936208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.936208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.936208 (E_RNA)
where:
Base-Base interactions energy: -181.198
where: short stacking energy: -91.252
Base-Backbone interact. energy: -0.288
local terms energy: -106.450487
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -25.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -267.561496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.561496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.561496 (E_RNA)
where:
Base-Base interactions energy: -175.377
where: short stacking energy: -73.988
Base-Backbone interact. energy: -0.562
local terms energy: -91.622435
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -271.322297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.322297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.322297 (E_RNA)
where:
Base-Base interactions energy: -172.129
where: short stacking energy: -80.830
Base-Backbone interact. energy: -0.041
local terms energy: -99.151997
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -126.232785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.232785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.232785 (E_RNA)
where:
Base-Base interactions energy: -41.903
where: short stacking energy: -38.986
Base-Backbone interact. energy: -0.011
local terms energy: -84.318603
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -180.801991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.801991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.801991 (E_RNA)
where:
Base-Base interactions energy: -99.632
where: short stacking energy: -49.090
Base-Backbone interact. energy: -0.052
local terms energy: -81.118055
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -8.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -119.955056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.955056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.955056 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -33.170
Base-Backbone interact. energy: -0.463
local terms energy: -79.112656
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -16.265
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: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -104.171988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.171988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.171988 (E_RNA)
where:
Base-Base interactions energy: -34.173
where: short stacking energy: -30.423
Base-Backbone interact. energy: -0.185
local terms energy: -69.813457
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: 0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -369.553879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.553879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.553879 (E_RNA)
where:
Base-Base interactions energy: -244.199
where: short stacking energy: -108.023
Base-Backbone interact. energy: -0.125
local terms energy: -125.230462
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -27.197
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -31.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -334.030838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.030838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.030838 (E_RNA)
where:
Base-Base interactions energy: -233.505
where: short stacking energy: -99.349
Base-Backbone interact. energy: -0.771
local terms energy: -99.754534
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -23.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -331.996103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.996103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.996103 (E_RNA)
where:
Base-Base interactions energy: -221.157
where: short stacking energy: -99.034
Base-Backbone interact. energy: -0.230
local terms energy: -110.609314
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -25.156
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -280.685176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.685176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.685176 (E_RNA)
where:
Base-Base interactions energy: -180.461
where: short stacking energy: -76.676
Base-Backbone interact. energy: -0.076
local terms energy: -100.148534
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -19.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -273.989762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.989762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.989762 (E_RNA)
where:
Base-Base interactions energy: -168.504
where: short stacking energy: -78.472
Base-Backbone interact. energy: -0.235
local terms energy: -105.250763
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -22.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -274.448529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.448529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.448529 (E_RNA)
where:
Base-Base interactions energy: -176.527
where: short stacking energy: -71.478
Base-Backbone interact. energy: -0.649
local terms energy: -97.272465
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -221.106020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.106020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.106020 (E_RNA)
where:
Base-Base interactions energy: -124.101
where: short stacking energy: -58.640
Base-Backbone interact. energy: -0.405
local terms energy: -96.599287
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -131.227434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.227434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.227434 (E_RNA)
where:
Base-Base interactions energy: -54.117
where: short stacking energy: -54.117
Base-Backbone interact. energy: -0.109
local terms energy: -77.001040
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -124.919427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.919427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.919427 (E_RNA)
where:
Base-Base interactions energy: -52.913
where: short stacking energy: -44.968
Base-Backbone interact. energy: 1.114
local terms energy: -73.119647
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -112.729222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.729222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.729222 (E_RNA)
where:
Base-Base interactions energy: -47.349
where: short stacking energy: -28.528
Base-Backbone interact. energy: -1.120
local terms energy: -64.259972
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -370.377358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.377358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.377358 (E_RNA)
where:
Base-Base interactions energy: -257.881
where: short stacking energy: -107.014
Base-Backbone interact. energy: -0.013
local terms energy: -112.483990
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -23.121
flat angles C4'-P-C4' energy: -24.288
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -32.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -326.035817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.035817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.035817 (E_RNA)
where:
Base-Base interactions energy: -211.883
where: short stacking energy: -98.715
Base-Backbone interact. energy: -0.194
local terms energy: -113.958668
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -24.811
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: 93
Temperature: 1.000000
Total energy: -319.413705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.413705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.413705 (E_RNA)
where:
Base-Base interactions energy: -209.330
where: short stacking energy: -85.315
Base-Backbone interact. energy: -0.676
local terms energy: -109.407357
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -24.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -286.817969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.817969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.817969 (E_RNA)
where:
Base-Base interactions energy: -184.238
where: short stacking energy: -87.558
Base-Backbone interact. energy: -0.141
local terms energy: -102.438662
where:
bonds (distance) C4'-P energy: -23.001
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -281.293950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.293950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.293950 (E_RNA)
where:
Base-Base interactions energy: -188.721
where: short stacking energy: -81.363
Base-Backbone interact. energy: -0.217
local terms energy: -92.355715
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -258.570929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.570929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.570929 (E_RNA)
where:
Base-Base interactions energy: -158.048
where: short stacking energy: -75.865
Base-Backbone interact. energy: -0.123
local terms energy: -100.399614
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -219.620331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.620331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.620331 (E_RNA)
where:
Base-Base interactions energy: -123.308
where: short stacking energy: -64.794
Base-Backbone interact. energy: -0.234
local terms energy: -96.078188
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -123.098224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.098224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.098224 (E_RNA)
where:
Base-Base interactions energy: -53.804
where: short stacking energy: -38.852
Base-Backbone interact. energy: -0.215
local terms energy: -69.078725
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -2.464
tors. eta vs tors. theta energy: -0.609
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: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -123.561926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.561926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.561926 (E_RNA)
where:
Base-Base interactions energy: -41.555
where: short stacking energy: -41.555
Base-Backbone interact. energy: -0.146
local terms energy: -81.861115
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -10.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -101.782047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.782047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.782047 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -34.639
Base-Backbone interact. energy: -0.340
local terms energy: -66.803570
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: 3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -342.002313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.002313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.002313 (E_RNA)
where:
Base-Base interactions energy: -238.581
where: short stacking energy: -95.070
Base-Backbone interact. energy: 0.935
local terms energy: -104.355925
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -24.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -368.952846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.952846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.952846 (E_RNA)
where:
Base-Base interactions energy: -244.179
where: short stacking energy: -104.045
Base-Backbone interact. energy: -0.897
local terms energy: -123.877709
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -27.438
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -30.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -293.726774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.726774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.726774 (E_RNA)
where:
Base-Base interactions energy: -183.774
where: short stacking energy: -95.652
Base-Backbone interact. energy: -0.983
local terms energy: -108.969690
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -23.563
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -28.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -304.458001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.458001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.458001 (E_RNA)
where:
Base-Base interactions energy: -199.943
where: short stacking energy: -89.659
Base-Backbone interact. energy: -0.221
local terms energy: -104.293878
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -24.606
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -25.292
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: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -269.996653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.996653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.996653 (E_RNA)
where:
Base-Base interactions energy: -164.892
where: short stacking energy: -80.196
Base-Backbone interact. energy: -0.159
local terms energy: -104.945931
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -27.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -274.129662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.129662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.129662 (E_RNA)
where:
Base-Base interactions energy: -170.518
where: short stacking energy: -81.822
Base-Backbone interact. energy: -0.519
local terms energy: -103.091727
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -23.370
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -22.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -230.653124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.653124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.653124 (E_RNA)
where:
Base-Base interactions energy: -143.160
where: short stacking energy: -73.407
Base-Backbone interact. energy: -0.745
local terms energy: -86.748064
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -158.419781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.419781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.419781 (E_RNA)
where:
Base-Base interactions energy: -78.822
where: short stacking energy: -38.451
Base-Backbone interact. energy: -0.518
local terms energy: -79.079888
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -115.289808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.289808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.289808 (E_RNA)
where:
Base-Base interactions energy: -45.081
where: short stacking energy: -45.081
Base-Backbone interact. energy: -0.180
local terms energy: -70.029158
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -94.339654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.339654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.339654 (E_RNA)
where:
Base-Base interactions energy: -30.944
where: short stacking energy: -30.183
Base-Backbone interact. energy: -0.104
local terms energy: -63.291774
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -344.812730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.812730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.812730 (E_RNA)
where:
Base-Base interactions energy: -233.328
where: short stacking energy: -87.294
Base-Backbone interact. energy: -1.019
local terms energy: -110.466301
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -24.112
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -25.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -367.215714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.215714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.215714 (E_RNA)
where:
Base-Base interactions energy: -252.561
where: short stacking energy: -114.302
Base-Backbone interact. energy: 1.130
local terms energy: -115.785003
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -32.595
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: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -286.692649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.692649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.692649 (E_RNA)
where:
Base-Base interactions energy: -180.554
where: short stacking energy: -83.106
Base-Backbone interact. energy: -0.472
local terms energy: -105.666824
where:
bonds (distance) C4'-P energy: -23.372
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -20.457
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -296.968705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.968705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.968705 (E_RNA)
where:
Base-Base interactions energy: -198.668
where: short stacking energy: -83.121
Base-Backbone interact. energy: -0.122
local terms energy: -98.179171
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -22.381
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: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -285.704923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.704923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.704923 (E_RNA)
where:
Base-Base interactions energy: -181.996
where: short stacking energy: -94.153
Base-Backbone interact. energy: -0.293
local terms energy: -103.415764
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -27.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -265.351655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.351655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.351655 (E_RNA)
where:
Base-Base interactions energy: -161.358
where: short stacking energy: -74.079
Base-Backbone interact. energy: -0.242
local terms energy: -103.751401
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -209.719528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.719528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.719528 (E_RNA)
where:
Base-Base interactions energy: -126.219
where: short stacking energy: -62.755
Base-Backbone interact. energy: -0.200
local terms energy: -83.300657
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -142.270992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.270992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.270992 (E_RNA)
where:
Base-Base interactions energy: -79.101
where: short stacking energy: -45.110
Base-Backbone interact. energy: -1.016
local terms energy: -62.154211
where:
bonds (distance) C4'-P energy: -8.581
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -117.798620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.798620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.798620 (E_RNA)
where:
Base-Base interactions energy: -57.751
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.044
local terms energy: -60.003703
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -112.686283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.686283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.686283 (E_RNA)
where:
Base-Base interactions energy: -38.661
where: short stacking energy: -37.892
Base-Backbone interact. energy: -0.221
local terms energy: -73.803467
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -385.264582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.264582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.264582 (E_RNA)
where:
Base-Base interactions energy: -261.458
where: short stacking energy: -114.881
Base-Backbone interact. energy: -0.055
local terms energy: -123.751997
where:
bonds (distance) C4'-P energy: -23.933
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -33.918
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: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -347.510685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.510685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.510685 (E_RNA)
where:
Base-Base interactions energy: -243.222
where: short stacking energy: -102.972
Base-Backbone interact. energy: -0.752
local terms energy: -103.536176
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -25.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -331.282152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.282152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.282152 (E_RNA)
where:
Base-Base interactions energy: -220.323
where: short stacking energy: -103.419
Base-Backbone interact. energy: -0.005
local terms energy: -110.954120
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -25.327
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -23.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -286.036059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.036059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.036059 (E_RNA)
where:
Base-Base interactions energy: -190.416
where: short stacking energy: -80.241
Base-Backbone interact. energy: -0.869
local terms energy: -94.751375
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -295.290777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.290777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.290777 (E_RNA)
where:
Base-Base interactions energy: -201.433
where: short stacking energy: -94.294
Base-Backbone interact. energy: -0.297
local terms energy: -93.561273
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -254.790092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.790092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.790092 (E_RNA)
where:
Base-Base interactions energy: -156.814
where: short stacking energy: -67.690
Base-Backbone interact. energy: -0.131
local terms energy: -97.845477
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -141.260921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.260921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.260921 (E_RNA)
where:
Base-Base interactions energy: -58.629
where: short stacking energy: -38.314
Base-Backbone interact. energy: -0.193
local terms energy: -82.438653
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -11.050
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: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -136.124211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.124211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.124211 (E_RNA)
where:
Base-Base interactions energy: -52.901
where: short stacking energy: -33.258
Base-Backbone interact. energy: -0.153
local terms energy: -83.070965
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -107.795219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.795219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.795219 (E_RNA)
where:
Base-Base interactions energy: -38.097
where: short stacking energy: -36.621
Base-Backbone interact. energy: 0.659
local terms energy: -70.356891
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -23.093
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: 1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -111.161818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.161818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.161818 (E_RNA)
where:
Base-Base interactions energy: -50.580
where: short stacking energy: -29.186
Base-Backbone interact. energy: -0.306
local terms energy: -60.275316
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: 1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -374.114204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.114204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.114204 (E_RNA)
where:
Base-Base interactions energy: -257.895
where: short stacking energy: -112.890
Base-Backbone interact. energy: -0.187
local terms energy: -116.031705
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -24.452
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -34.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -337.814051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.814051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.814051 (E_RNA)
where:
Base-Base interactions energy: -223.810
where: short stacking energy: -110.609
Base-Backbone interact. energy: -0.496
local terms energy: -113.508119
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -321.515116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.515116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.515116 (E_RNA)
where:
Base-Base interactions energy: -209.895
where: short stacking energy: -89.191
Base-Backbone interact. energy: -0.727
local terms energy: -110.893024
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -25.036
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -24.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -316.424531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.424531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.424531 (E_RNA)
where:
Base-Base interactions energy: -211.322
where: short stacking energy: -92.680
Base-Backbone interact. energy: -0.127
local terms energy: -104.975950
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -25.423
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -25.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -280.089246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.089246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.089246 (E_RNA)
where:
Base-Base interactions energy: -180.364
where: short stacking energy: -78.034
Base-Backbone interact. energy: 0.307
local terms energy: -100.031661
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -23.245
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: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -267.907292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.907292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.907292 (E_RNA)
where:
Base-Base interactions energy: -164.068
where: short stacking energy: -76.450
Base-Backbone interact. energy: -0.154
local terms energy: -103.684792
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -27.889
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -20.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -131.393061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.393061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.393061 (E_RNA)
where:
Base-Base interactions energy: -59.070
where: short stacking energy: -47.664
Base-Backbone interact. energy: -0.238
local terms energy: -72.085034
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -131.154932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.154932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.154932 (E_RNA)
where:
Base-Base interactions energy: -60.018
where: short stacking energy: -21.689
Base-Backbone interact. energy: -0.391
local terms energy: -70.746042
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: 1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -116.306635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.306635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.306635 (E_RNA)
where:
Base-Base interactions energy: -35.486
where: short stacking energy: -31.254
Base-Backbone interact. energy: 0.951
local terms energy: -81.772047
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -111.071724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.071724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.071724 (E_RNA)
where:
Base-Base interactions energy: -46.341
where: short stacking energy: -33.002
Base-Backbone interact. energy: -0.234
local terms energy: -64.497024
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -2.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -364.277944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.277944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.277944 (E_RNA)
where:
Base-Base interactions energy: -253.318
where: short stacking energy: -118.375
Base-Backbone interact. energy: -0.062
local terms energy: -110.898365
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -32.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -332.959313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.959313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.959313 (E_RNA)
where:
Base-Base interactions energy: -228.952
where: short stacking energy: -104.241
Base-Backbone interact. energy: -0.390
local terms energy: -103.617245
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -25.499
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -309.874807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.874807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.874807 (E_RNA)
where:
Base-Base interactions energy: -203.083
where: short stacking energy: -95.143
Base-Backbone interact. energy: -0.122
local terms energy: -106.669737
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -22.902
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: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -331.053384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.053384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.053384 (E_RNA)
where:
Base-Base interactions energy: -226.073
where: short stacking energy: -89.856
Base-Backbone interact. energy: -0.171
local terms energy: -104.809889
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -26.262
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -253.421134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.421134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.421134 (E_RNA)
where:
Base-Base interactions energy: -158.126
where: short stacking energy: -71.710
Base-Backbone interact. energy: -0.087
local terms energy: -95.208211
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -266.859432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.859432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.859432 (E_RNA)
where:
Base-Base interactions energy: -173.161
where: short stacking energy: -79.087
Base-Backbone interact. energy: -0.404
local terms energy: -93.294077
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -22.627
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -23.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -118.745703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.745703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.745703 (E_RNA)
where:
Base-Base interactions energy: -43.287
where: short stacking energy: -36.060
Base-Backbone interact. energy: -0.408
local terms energy: -75.050704
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -139.394566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.394566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.394566 (E_RNA)
where:
Base-Base interactions energy: -74.043
where: short stacking energy: -34.134
Base-Backbone interact. energy: -0.275
local terms energy: -65.076858
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: 0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -154.956328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.956328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.956328 (E_RNA)
where:
Base-Base interactions energy: -84.446
where: short stacking energy: -44.759
Base-Backbone interact. energy: -0.298
local terms energy: -70.212385
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -112.114369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.114369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.114369 (E_RNA)
where:
Base-Base interactions energy: -44.199
where: short stacking energy: -27.632
Base-Backbone interact. energy: 0.190
local terms energy: -68.105397
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -374.864710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.864710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.864710 (E_RNA)
where:
Base-Base interactions energy: -252.848
where: short stacking energy: -111.509
Base-Backbone interact. energy: 0.167
local terms energy: -122.183283
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -32.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -335.829935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.829935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.829935 (E_RNA)
where:
Base-Base interactions energy: -221.192
where: short stacking energy: -89.567
Base-Backbone interact. energy: -0.288
local terms energy: -114.350419
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -26.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -320.268658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.268658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.268658 (E_RNA)
where:
Base-Base interactions energy: -214.345
where: short stacking energy: -90.278
Base-Backbone interact. energy: 0.209
local terms energy: -106.133300
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -21.682
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -317.574079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.574079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.574079 (E_RNA)
where:
Base-Base interactions energy: -218.703
where: short stacking energy: -76.613
Base-Backbone interact. energy: -0.775
local terms energy: -98.096226
where:
bonds (distance) C4'-P energy: -23.880
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -279.215389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.215389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.215389 (E_RNA)
where:
Base-Base interactions energy: -173.941
where: short stacking energy: -82.444
Base-Backbone interact. energy: -0.213
local terms energy: -105.061665
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -25.822
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -255.472667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.472667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.472667 (E_RNA)
where:
Base-Base interactions energy: -177.275
where: short stacking energy: -79.502
Base-Backbone interact. energy: -0.129
local terms energy: -78.068577
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -12.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -134.951420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.951420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.951420 (E_RNA)
where:
Base-Base interactions energy: -58.444
where: short stacking energy: -50.976
Base-Backbone interact. energy: 2.010
local terms energy: -78.517108
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -6.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -165.825162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.825162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.825162 (E_RNA)
where:
Base-Base interactions energy: -87.922
where: short stacking energy: -44.253
Base-Backbone interact. energy: -0.277
local terms energy: -77.625519
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -14.874
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: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -206.020842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.020842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.020842 (E_RNA)
where:
Base-Base interactions energy: -125.393
where: short stacking energy: -59.083
Base-Backbone interact. energy: 0.978
local terms energy: -81.605752
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -190.727992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.727992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.727992 (E_RNA)
where:
Base-Base interactions energy: -116.915
where: short stacking energy: -58.928
Base-Backbone interact. energy: 1.731
local terms energy: -75.544474
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -360.755167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.755167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.755167 (E_RNA)
where:
Base-Base interactions energy: -243.139
where: short stacking energy: -112.754
Base-Backbone interact. energy: -0.048
local terms energy: -117.568645
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -27.527
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -33.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -332.277328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.277328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.277328 (E_RNA)
where:
Base-Base interactions energy: -221.619
where: short stacking energy: -90.524
Base-Backbone interact. energy: 1.824
local terms energy: -112.481974
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -28.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -329.561282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.561282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.561282 (E_RNA)
where:
Base-Base interactions energy: -219.469
where: short stacking energy: -94.856
Base-Backbone interact. energy: -0.713
local terms energy: -109.378911
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -17.264
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -286.538680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.538680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.538680 (E_RNA)
where:
Base-Base interactions energy: -189.494
where: short stacking energy: -91.185
Base-Backbone interact. energy: -1.162
local terms energy: -95.882186
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -24.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -267.556787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.556787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.556787 (E_RNA)
where:
Base-Base interactions energy: -175.160
where: short stacking energy: -86.060
Base-Backbone interact. energy: -0.086
local terms energy: -92.311088
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -24.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -256.523274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.523274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.523274 (E_RNA)
where:
Base-Base interactions energy: -162.409
where: short stacking energy: -82.676
Base-Backbone interact. energy: -0.284
local terms energy: -93.829853
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -163.621075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.621075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.621075 (E_RNA)
where:
Base-Base interactions energy: -92.487
where: short stacking energy: -51.366
Base-Backbone interact. energy: -0.832
local terms energy: -70.301828
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -8.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -142.509963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.509963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.509963 (E_RNA)
where:
Base-Base interactions energy: -64.154
where: short stacking energy: -51.512
Base-Backbone interact. energy: -0.042
local terms energy: -78.314430
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -231.883128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.883128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.883128 (E_RNA)
where:
Base-Base interactions energy: -135.625
where: short stacking energy: -64.856
Base-Backbone interact. energy: -0.215
local terms energy: -96.042292
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -192.275625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.275625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.275625 (E_RNA)
where:
Base-Base interactions energy: -111.103
where: short stacking energy: -50.925
Base-Backbone interact. energy: -0.406
local terms energy: -80.766500
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -13.023
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: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -366.005602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.005602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.005602 (E_RNA)
where:
Base-Base interactions energy: -247.340
where: short stacking energy: -111.392
Base-Backbone interact. energy: -0.108
local terms energy: -118.557934
where:
bonds (distance) C4'-P energy: -25.245
bonds (distance) P-C4' energy: -25.172
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -32.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -337.242762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.242762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.242762 (E_RNA)
where:
Base-Base interactions energy: -226.438
where: short stacking energy: -95.498
Base-Backbone interact. energy: -0.542
local terms energy: -110.262629
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -25.245
flat angles C4'-P-C4' energy: -22.681
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -27.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -325.427005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.427005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.427005 (E_RNA)
where:
Base-Base interactions energy: -218.902
where: short stacking energy: -85.238
Base-Backbone interact. energy: -0.679
local terms energy: -105.846176
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -23.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -319.653365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.653365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.653365 (E_RNA)
where:
Base-Base interactions energy: -218.291
where: short stacking energy: -81.839
Base-Backbone interact. energy: -0.020
local terms energy: -101.342703
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -281.377743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.377743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.377743 (E_RNA)
where:
Base-Base interactions energy: -176.495
where: short stacking energy: -96.925
Base-Backbone interact. energy: -0.152
local terms energy: -104.730512
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -26.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -258.917642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.917642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.917642 (E_RNA)
where:
Base-Base interactions energy: -163.390
where: short stacking energy: -74.099
Base-Backbone interact. energy: -0.112
local terms energy: -95.415428
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -24.692
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -219.351359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.351359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.351359 (E_RNA)
where:
Base-Base interactions energy: -135.064
where: short stacking energy: -68.166
Base-Backbone interact. energy: -0.152
local terms energy: -84.134982
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -10.593
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: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -228.238259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.238259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.238259 (E_RNA)
where:
Base-Base interactions energy: -140.006
where: short stacking energy: -69.137
Base-Backbone interact. energy: -0.112
local terms energy: -88.120137
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -122.807933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.807933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.807933 (E_RNA)
where:
Base-Base interactions energy: -54.092
where: short stacking energy: -51.142
Base-Backbone interact. energy: -0.101
local terms energy: -68.614383
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -208.851947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.851947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.851947 (E_RNA)
where:
Base-Base interactions energy: -128.300
where: short stacking energy: -56.140
Base-Backbone interact. energy: -0.521
local terms energy: -80.031075
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -364.932432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.932432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.932432 (E_RNA)
where:
Base-Base interactions energy: -243.573
where: short stacking energy: -103.688
Base-Backbone interact. energy: -0.141
local terms energy: -121.218418
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -24.970
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -33.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -328.026523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.026523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.026523 (E_RNA)
where:
Base-Base interactions energy: -234.567
where: short stacking energy: -89.473
Base-Backbone interact. energy: -1.089
local terms energy: -92.370015
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -22.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -305.615328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.615328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.615328 (E_RNA)
where:
Base-Base interactions energy: -213.139
where: short stacking energy: -84.053
Base-Backbone interact. energy: 0.472
local terms energy: -92.948439
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -23.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -310.463257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.463257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.463257 (E_RNA)
where:
Base-Base interactions energy: -197.203
where: short stacking energy: -83.912
Base-Backbone interact. energy: 4.695
local terms energy: -117.955420
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -28.598
flat angles C4'-P-C4' energy: -24.316
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -23.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -273.855019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.855019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.855019 (E_RNA)
where:
Base-Base interactions energy: -175.648
where: short stacking energy: -77.557
Base-Backbone interact. energy: 0.791
local terms energy: -98.998785
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -250.300264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.300264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.300264 (E_RNA)
where:
Base-Base interactions energy: -165.505
where: short stacking energy: -58.799
Base-Backbone interact. energy: -0.311
local terms energy: -84.484319
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -229.313093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.313093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.313093 (E_RNA)
where:
Base-Base interactions energy: -138.267
where: short stacking energy: -71.635
Base-Backbone interact. energy: -0.551
local terms energy: -90.495252
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -11.323
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: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -242.956719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.956719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.956719 (E_RNA)
where:
Base-Base interactions energy: -157.987
where: short stacking energy: -69.221
Base-Backbone interact. energy: -0.212
local terms energy: -84.757549
where:
bonds (distance) C4'-P energy: -24.076
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -228.947488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.947488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.947488 (E_RNA)
where:
Base-Base interactions energy: -144.119
where: short stacking energy: -73.758
Base-Backbone interact. energy: 0.670
local terms energy: -85.498814
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -101.551909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.551909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.551909 (E_RNA)
where:
Base-Base interactions energy: -30.157
where: short stacking energy: -25.836
Base-Backbone interact. energy: 0.780
local terms energy: -72.174899
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: 0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -362.667698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.667698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.667698 (E_RNA)
where:
Base-Base interactions energy: -237.382
where: short stacking energy: -105.045
Base-Backbone interact. energy: -0.364
local terms energy: -124.921605
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: -34.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -346.841137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.841137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.841137 (E_RNA)
where:
Base-Base interactions energy: -235.729
where: short stacking energy: -92.297
Base-Backbone interact. energy: -1.241
local terms energy: -109.870872
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -22.478
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -25.324
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: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -322.275573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.275573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.275573 (E_RNA)
where:
Base-Base interactions energy: -210.519
where: short stacking energy: -91.177
Base-Backbone interact. energy: -0.013
local terms energy: -111.743901
where:
bonds (distance) C4'-P energy: -22.065
bonds (distance) P-C4' energy: -25.836
flat angles C4'-P-C4' energy: -24.474
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -25.537
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: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -325.093185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.093185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.093185 (E_RNA)
where:
Base-Base interactions energy: -211.813
where: short stacking energy: -91.954
Base-Backbone interact. energy: -0.433
local terms energy: -112.847094
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -27.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -278.705145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.705145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.705145 (E_RNA)
where:
Base-Base interactions energy: -179.686
where: short stacking energy: -78.443
Base-Backbone interact. energy: -0.276
local terms energy: -98.743324
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -264.990578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.990578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.990578 (E_RNA)
where:
Base-Base interactions energy: -173.169
where: short stacking energy: -86.174
Base-Backbone interact. energy: -0.292
local terms energy: -91.530380
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -236.203720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.203720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.203720 (E_RNA)
where:
Base-Base interactions energy: -151.506
where: short stacking energy: -76.141
Base-Backbone interact. energy: -1.237
local terms energy: -83.460352
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -10.252
flat angles C4'-P-C4' energy: -21.344
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -20.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -254.612752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.612752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.612752 (E_RNA)
where:
Base-Base interactions energy: -156.598
where: short stacking energy: -75.307
Base-Backbone interact. energy: -0.292
local terms energy: -97.722460
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -23.578
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -199.269878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.269878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.269878 (E_RNA)
where:
Base-Base interactions energy: -115.919
where: short stacking energy: -53.289
Base-Backbone interact. energy: -0.402
local terms energy: -82.948829
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -9.972
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: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -111.635486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.635486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.635486 (E_RNA)
where:
Base-Base interactions energy: -45.806
where: short stacking energy: -40.959
Base-Backbone interact. energy: 1.091
local terms energy: -66.919937
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -373.887523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.887523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.887523 (E_RNA)
where:
Base-Base interactions energy: -253.103
where: short stacking energy: -105.875
Base-Backbone interact. energy: -0.149
local terms energy: -120.635129
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -34.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -344.351917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.351917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.351917 (E_RNA)
where:
Base-Base interactions energy: -233.102
where: short stacking energy: -96.599
Base-Backbone interact. energy: 0.224
local terms energy: -111.473924
where:
bonds (distance) C4'-P energy: -22.979
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -26.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -304.996990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.996990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.996990 (E_RNA)
where:
Base-Base interactions energy: -198.769
where: short stacking energy: -92.874
Base-Backbone interact. energy: -0.078
local terms energy: -106.150582
where:
bonds (distance) C4'-P energy: -22.083
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -27.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -320.963692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.963692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.963692 (E_RNA)
where:
Base-Base interactions energy: -218.748
where: short stacking energy: -85.435
Base-Backbone interact. energy: -0.496
local terms energy: -101.719346
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -22.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -288.923084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.923084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.923084 (E_RNA)
where:
Base-Base interactions energy: -183.662
where: short stacking energy: -71.779
Base-Backbone interact. energy: -0.242
local terms energy: -105.019201
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -19.512
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: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -268.319391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.319391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.319391 (E_RNA)
where:
Base-Base interactions energy: -168.587
where: short stacking energy: -83.219
Base-Backbone interact. energy: -0.102
local terms energy: -99.629601
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -22.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -248.226030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.226030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.226030 (E_RNA)
where:
Base-Base interactions energy: -155.665
where: short stacking energy: -66.576
Base-Backbone interact. energy: -0.205
local terms energy: -92.355972
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -248.490702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.490702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.490702 (E_RNA)
where:
Base-Base interactions energy: -159.735
where: short stacking energy: -70.430
Base-Backbone interact. energy: -0.619
local terms energy: -88.136481
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -11.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -200.334765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.334765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.334765 (E_RNA)
where:
Base-Base interactions energy: -126.033
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.373
local terms energy: -73.927984
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -118.978249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.978249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.978249 (E_RNA)
where:
Base-Base interactions energy: -45.714
where: short stacking energy: -35.737
Base-Backbone interact. energy: 2.030
local terms energy: -75.294278
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -25.860
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -374.275512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.275512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.275512 (E_RNA)
where:
Base-Base interactions energy: -250.112
where: short stacking energy: -105.020
Base-Backbone interact. energy: -0.032
local terms energy: -124.131119
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -25.860
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -35.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -340.697985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.697985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.697985 (E_RNA)
where:
Base-Base interactions energy: -232.133
where: short stacking energy: -101.737
Base-Backbone interact. energy: 1.558
local terms energy: -110.122831
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -28.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -314.020812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.020812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.020812 (E_RNA)
where:
Base-Base interactions energy: -214.197
where: short stacking energy: -90.189
Base-Backbone interact. energy: 0.614
local terms energy: -100.438123
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -27.234
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -24.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -318.380933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.380933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.380933 (E_RNA)
where:
Base-Base interactions energy: -209.473
where: short stacking energy: -83.508
Base-Backbone interact. energy: -0.731
local terms energy: -108.176668
where:
bonds (distance) C4'-P energy: -22.201
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -28.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -278.280688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.280688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.280688 (E_RNA)
where:
Base-Base interactions energy: -179.713
where: short stacking energy: -86.099
Base-Backbone interact. energy: -0.561
local terms energy: -98.007031
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -262.994686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.994686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.994686 (E_RNA)
where:
Base-Base interactions energy: -170.155
where: short stacking energy: -65.286
Base-Backbone interact. energy: -1.625
local terms energy: -91.215017
where:
bonds (distance) C4'-P energy: -24.376
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -19.522
tors. eta vs tors. theta energy: -9.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -257.573138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.573138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.573138 (E_RNA)
where:
Base-Base interactions energy: -178.589
where: short stacking energy: -68.610
Base-Backbone interact. energy: -0.267
local terms energy: -78.717161
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -254.860309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.860309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.860309 (E_RNA)
where:
Base-Base interactions energy: -164.760
where: short stacking energy: -72.879
Base-Backbone interact. energy: 1.256
local terms energy: -91.356751
where:
bonds (distance) C4'-P energy: -19.814
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -24.775
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -182.411766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.411766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.411766 (E_RNA)
where:
Base-Base interactions energy: -102.015
where: short stacking energy: -50.392
Base-Backbone interact. energy: 4.470
local terms energy: -84.866594
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -110.874131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.874131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.874131 (E_RNA)
where:
Base-Base interactions energy: -36.573
where: short stacking energy: -36.138
Base-Backbone interact. energy: -0.035
local terms energy: -74.265505
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -367.653740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.653740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.653740 (E_RNA)
where:
Base-Base interactions energy: -252.293
where: short stacking energy: -111.725
Base-Backbone interact. energy: -0.109
local terms energy: -115.252455
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -30.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -346.908134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.908134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.908134 (E_RNA)
where:
Base-Base interactions energy: -241.686
where: short stacking energy: -98.891
Base-Backbone interact. energy: -0.189
local terms energy: -105.032963
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -317.636730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.636730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.636730 (E_RNA)
where:
Base-Base interactions energy: -205.125
where: short stacking energy: -93.800
Base-Backbone interact. energy: -1.078
local terms energy: -111.434189
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -27.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -317.423663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.423663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.423663 (E_RNA)
where:
Base-Base interactions energy: -211.490
where: short stacking energy: -105.677
Base-Backbone interact. energy: 1.195
local terms energy: -107.128519
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -25.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -272.415742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.415742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.415742 (E_RNA)
where:
Base-Base interactions energy: -168.455
where: short stacking energy: -71.042
Base-Backbone interact. energy: -0.206
local terms energy: -103.754174
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -281.679898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.679898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.679898 (E_RNA)
where:
Base-Base interactions energy: -192.334
where: short stacking energy: -80.709
Base-Backbone interact. energy: -0.039
local terms energy: -89.306768
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -267.258771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.258771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.258771 (E_RNA)
where:
Base-Base interactions energy: -173.470
where: short stacking energy: -78.372
Base-Backbone interact. energy: -0.085
local terms energy: -93.703132
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -21.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -245.699376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.699376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.699376 (E_RNA)
where:
Base-Base interactions energy: -161.368
where: short stacking energy: -79.580
Base-Backbone interact. energy: -0.220
local terms energy: -84.111250
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -202.724342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.724342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.724342 (E_RNA)
where:
Base-Base interactions energy: -130.427
where: short stacking energy: -67.257
Base-Backbone interact. energy: -0.173
local terms energy: -72.124464
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -12.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -104.306849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.306849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.306849 (E_RNA)
where:
Base-Base interactions energy: -40.164
where: short stacking energy: -36.683
Base-Backbone interact. energy: -0.340
local terms energy: -63.802253
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: 1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -364.246856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.246856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.246856 (E_RNA)
where:
Base-Base interactions energy: -253.221
where: short stacking energy: -110.554
Base-Backbone interact. energy: 0.215
local terms energy: -111.241038
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -31.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -338.827776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.827776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.827776 (E_RNA)
where:
Base-Base interactions energy: -219.169
where: short stacking energy: -93.826
Base-Backbone interact. energy: -0.727
local terms energy: -118.932439
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -26.472
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -29.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -330.344666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.344666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.344666 (E_RNA)
where:
Base-Base interactions energy: -221.818
where: short stacking energy: -95.923
Base-Backbone interact. energy: -0.226
local terms energy: -108.301459
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -25.292
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -26.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -280.356140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.356140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.356140 (E_RNA)
where:
Base-Base interactions energy: -187.230
where: short stacking energy: -91.595
Base-Backbone interact. energy: -0.139
local terms energy: -92.987662
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -301.100844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.100844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.100844 (E_RNA)
where:
Base-Base interactions energy: -197.918
where: short stacking energy: -89.722
Base-Backbone interact. energy: -0.642
local terms energy: -102.540672
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -26.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -271.580566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.580566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.580566 (E_RNA)
where:
Base-Base interactions energy: -182.543
where: short stacking energy: -75.052
Base-Backbone interact. energy: -1.211
local terms energy: -87.826367
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -13.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -252.751578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.751578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.751578 (E_RNA)
where:
Base-Base interactions energy: -162.588
where: short stacking energy: -74.116
Base-Backbone interact. energy: -0.905
local terms energy: -89.258120
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -227.642704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.642704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.642704 (E_RNA)
where:
Base-Base interactions energy: -142.016
where: short stacking energy: -66.102
Base-Backbone interact. energy: -0.458
local terms energy: -85.168051
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -191.013622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.013622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.013622 (E_RNA)
where:
Base-Base interactions energy: -112.183
where: short stacking energy: -57.076
Base-Backbone interact. energy: -0.181
local terms energy: -78.648980
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -10.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -109.667167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.667167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.667167 (E_RNA)
where:
Base-Base interactions energy: -48.167
where: short stacking energy: -35.307
Base-Backbone interact. energy: 1.478
local terms energy: -62.978091
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: 1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -369.964339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.964339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.964339 (E_RNA)
where:
Base-Base interactions energy: -249.679
where: short stacking energy: -112.608
Base-Backbone interact. energy: -0.040
local terms energy: -120.245262
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -26.208
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -34.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -337.966558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.966558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.966558 (E_RNA)
where:
Base-Base interactions energy: -224.508
where: short stacking energy: -104.215
Base-Backbone interact. energy: -0.294
local terms energy: -113.163831
where:
bonds (distance) C4'-P energy: -24.366
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -27.183
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -30.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -309.616709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.616709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.616709 (E_RNA)
where:
Base-Base interactions energy: -212.243
where: short stacking energy: -82.831
Base-Backbone interact. energy: -0.251
local terms energy: -97.122938
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -21.591
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -288.169146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.169146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.169146 (E_RNA)
where:
Base-Base interactions energy: -190.122
where: short stacking energy: -88.399
Base-Backbone interact. energy: -0.318
local terms energy: -97.729214
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -269.211057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.211057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.211057 (E_RNA)
where:
Base-Base interactions energy: -172.533
where: short stacking energy: -80.619
Base-Backbone interact. energy: 0.118
local terms energy: -96.795194
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -23.428
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -261.023262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.023262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.023262 (E_RNA)
where:
Base-Base interactions energy: -160.474
where: short stacking energy: -76.434
Base-Backbone interact. energy: -0.264
local terms energy: -100.284719
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -23.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -243.688898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.688898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.688898 (E_RNA)
where:
Base-Base interactions energy: -161.804
where: short stacking energy: -74.409
Base-Backbone interact. energy: 2.552
local terms energy: -84.437387
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -244.281042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.281042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.281042 (E_RNA)
where:
Base-Base interactions energy: -153.822
where: short stacking energy: -67.880
Base-Backbone interact. energy: -0.225
local terms energy: -90.234284
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -24.153
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -210.881907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.881907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.881907 (E_RNA)
where:
Base-Base interactions energy: -132.813
where: short stacking energy: -53.404
Base-Backbone interact. energy: -0.353
local terms energy: -77.715914
where:
bonds (distance) C4'-P energy: -22.063
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -108.207623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.207623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.207623 (E_RNA)
where:
Base-Base interactions energy: -45.841
where: short stacking energy: -34.335
Base-Backbone interact. energy: 1.365
local terms energy: -63.731208
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: 2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -365.816796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.816796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.816796 (E_RNA)
where:
Base-Base interactions energy: -257.596
where: short stacking energy: -104.873
Base-Backbone interact. energy: -0.111
local terms energy: -108.110433
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -32.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -335.187905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.187905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.187905 (E_RNA)
where:
Base-Base interactions energy: -214.819
where: short stacking energy: -96.611
Base-Backbone interact. energy: -1.027
local terms energy: -119.342320
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -30.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -331.597811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.597811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.597811 (E_RNA)
where:
Base-Base interactions energy: -221.829
where: short stacking energy: -97.617
Base-Backbone interact. energy: -0.693
local terms energy: -109.075601
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -27.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -283.578197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.578197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.578197 (E_RNA)
where:
Base-Base interactions energy: -182.244
where: short stacking energy: -91.449
Base-Backbone interact. energy: -0.014
local terms energy: -101.319948
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -23.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -280.391850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.391850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.391850 (E_RNA)
where:
Base-Base interactions energy: -176.963
where: short stacking energy: -80.963
Base-Backbone interact. energy: -0.257
local terms energy: -103.171403
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -20.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -260.395787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.395787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.395787 (E_RNA)
where:
Base-Base interactions energy: -166.456
where: short stacking energy: -79.054
Base-Backbone interact. energy: -0.506
local terms energy: -93.434440
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -243.145728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.145728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.145728 (E_RNA)
where:
Base-Base interactions energy: -148.014
where: short stacking energy: -75.493
Base-Backbone interact. energy: -0.187
local terms energy: -94.945030
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -23.812
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -256.321131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.321131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.321131 (E_RNA)
where:
Base-Base interactions energy: -147.658
where: short stacking energy: -73.692
Base-Backbone interact. energy: -0.062
local terms energy: -108.600860
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -19.608
tors. eta vs tors. theta energy: -22.020
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: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -212.215867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.215867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.215867 (E_RNA)
where:
Base-Base interactions energy: -128.306
where: short stacking energy: -67.283
Base-Backbone interact. energy: -0.560
local terms energy: -83.349812
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -107.969432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.969432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.969432 (E_RNA)
where:
Base-Base interactions energy: -50.104
where: short stacking energy: -40.846
Base-Backbone interact. energy: -1.180
local terms energy: -56.684721
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: 3.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -368.986456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.986456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.986456 (E_RNA)
where:
Base-Base interactions energy: -253.582
where: short stacking energy: -101.390
Base-Backbone interact. energy: -0.069
local terms energy: -115.335068
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -23.854
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -30.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -325.234745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.234745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.234745 (E_RNA)
where:
Base-Base interactions energy: -223.367
where: short stacking energy: -91.219
Base-Backbone interact. energy: -0.603
local terms energy: -101.264492
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -24.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -329.146147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.146147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.146147 (E_RNA)
where:
Base-Base interactions energy: -225.720
where: short stacking energy: -87.747
Base-Backbone interact. energy: -0.533
local terms energy: -102.893307
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -30.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -275.178986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.178986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.178986 (E_RNA)
where:
Base-Base interactions energy: -175.369
where: short stacking energy: -79.813
Base-Backbone interact. energy: -0.334
local terms energy: -99.476489
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -24.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -252.993825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.993825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.993825 (E_RNA)
where:
Base-Base interactions energy: -160.936
where: short stacking energy: -75.348
Base-Backbone interact. energy: -0.505
local terms energy: -91.552816
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -254.560622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.560622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.560622 (E_RNA)
where:
Base-Base interactions energy: -162.801
where: short stacking energy: -78.659
Base-Backbone interact. energy: -0.234
local terms energy: -91.525448
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -253.323909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.323909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.323909 (E_RNA)
where:
Base-Base interactions energy: -166.115
where: short stacking energy: -76.906
Base-Backbone interact. energy: 0.319
local terms energy: -87.527739
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -199.071894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.071894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.071894 (E_RNA)
where:
Base-Base interactions energy: -112.620
where: short stacking energy: -61.922
Base-Backbone interact. energy: -0.228
local terms energy: -86.223806
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -10.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -202.564109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.564109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.564109 (E_RNA)
where:
Base-Base interactions energy: -128.259
where: short stacking energy: -60.818
Base-Backbone interact. energy: -0.212
local terms energy: -74.092502
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -2.748
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -101.615651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.615651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.615651 (E_RNA)
where:
Base-Base interactions energy: -44.284
where: short stacking energy: -32.281
Base-Backbone interact. energy: -0.310
local terms energy: -57.021950
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -6.993
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -370.457260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.457260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.457260 (E_RNA)
where:
Base-Base interactions energy: -244.098
where: short stacking energy: -98.072
Base-Backbone interact. energy: -0.422
local terms energy: -125.938045
where:
bonds (distance) C4'-P energy: -27.070
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -33.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -342.108401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.108401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.108401 (E_RNA)
where:
Base-Base interactions energy: -228.101
where: short stacking energy: -101.298
Base-Backbone interact. energy: 0.092
local terms energy: -114.098579
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -29.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -332.565869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.565869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.565869 (E_RNA)
where:
Base-Base interactions energy: -226.701
where: short stacking energy: -95.763
Base-Backbone interact. energy: -0.406
local terms energy: -105.458378
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -25.035
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -284.640206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.640206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.640206 (E_RNA)
where:
Base-Base interactions energy: -185.229
where: short stacking energy: -79.770
Base-Backbone interact. energy: -0.502
local terms energy: -98.909297
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -19.452
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: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -232.512091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.512091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.512091 (E_RNA)
where:
Base-Base interactions energy: -143.122
where: short stacking energy: -72.807
Base-Backbone interact. energy: 0.594
local terms energy: -89.984465
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -261.541444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.541444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.541444 (E_RNA)
where:
Base-Base interactions energy: -169.452
where: short stacking energy: -86.694
Base-Backbone interact. energy: -0.477
local terms energy: -91.612091
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -253.183255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.183255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.183255 (E_RNA)
where:
Base-Base interactions energy: -169.022
where: short stacking energy: -67.249
Base-Backbone interact. energy: -0.608
local terms energy: -83.553653
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -230.667559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.667559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.667559 (E_RNA)
where:
Base-Base interactions energy: -157.096
where: short stacking energy: -74.966
Base-Backbone interact. energy: -0.942
local terms energy: -72.629687
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -216.460967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.460967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.460967 (E_RNA)
where:
Base-Base interactions energy: -141.377
where: short stacking energy: -65.003
Base-Backbone interact. energy: -0.550
local terms energy: -74.533700
where:
bonds (distance) C4'-P energy: -21.003
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -111.033667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.033667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.033667 (E_RNA)
where:
Base-Base interactions energy: -32.543
where: short stacking energy: -29.187
Base-Backbone interact. energy: 0.014
local terms energy: -78.504577
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -373.506119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.506119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.506119 (E_RNA)
where:
Base-Base interactions energy: -249.549
where: short stacking energy: -111.389
Base-Backbone interact. energy: -0.007
local terms energy: -123.949855
where:
bonds (distance) C4'-P energy: -22.966
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -25.791
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -36.915
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: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -339.812596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.812596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.812596 (E_RNA)
where:
Base-Base interactions energy: -227.605
where: short stacking energy: -105.982
Base-Backbone interact. energy: -0.408
local terms energy: -111.799320
where:
bonds (distance) C4'-P energy: -21.899
bonds (distance) P-C4' energy: -22.801
flat angles C4'-P-C4' energy: -23.021
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -27.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -320.668415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.668415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.668415 (E_RNA)
where:
Base-Base interactions energy: -216.436
where: short stacking energy: -81.055
Base-Backbone interact. energy: -0.296
local terms energy: -103.937347
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -307.983157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.983157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.983157 (E_RNA)
where:
Base-Base interactions energy: -204.878
where: short stacking energy: -89.568
Base-Backbone interact. energy: -0.382
local terms energy: -102.723664
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -278.430963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.430963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.430963 (E_RNA)
where:
Base-Base interactions energy: -171.650
where: short stacking energy: -83.575
Base-Backbone interact. energy: -0.211
local terms energy: -106.570617
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -23.535
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -272.661648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.661648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.661648 (E_RNA)
where:
Base-Base interactions energy: -174.403
where: short stacking energy: -81.421
Base-Backbone interact. energy: -0.295
local terms energy: -97.963507
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -24.304
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: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -265.732934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.732934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.732934 (E_RNA)
where:
Base-Base interactions energy: -177.064
where: short stacking energy: -80.008
Base-Backbone interact. energy: -0.403
local terms energy: -88.266106
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -17.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -275.372986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.372986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.372986 (E_RNA)
where:
Base-Base interactions energy: -183.545
where: short stacking energy: -80.005
Base-Backbone interact. energy: -0.067
local terms energy: -91.761326
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -20.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -247.317115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.317115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.317115 (E_RNA)
where:
Base-Base interactions energy: -168.021
where: short stacking energy: -72.012
Base-Backbone interact. energy: 0.630
local terms energy: -79.925571
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -10.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -107.421212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.421212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.421212 (E_RNA)
where:
Base-Base interactions energy: -37.700
where: short stacking energy: -31.217
Base-Backbone interact. energy: -0.135
local terms energy: -69.585979
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: 3.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -369.532317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.532317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.532317 (E_RNA)
where:
Base-Base interactions energy: -246.640
where: short stacking energy: -111.212
Base-Backbone interact. energy: -0.152
local terms energy: -122.740186
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -33.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -350.961662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.961662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.961662 (E_RNA)
where:
Base-Base interactions energy: -236.516
where: short stacking energy: -108.635
Base-Backbone interact. energy: -0.204
local terms energy: -114.242273
where:
bonds (distance) C4'-P energy: -23.576
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -31.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -326.650612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.650612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.650612 (E_RNA)
where:
Base-Base interactions energy: -211.354
where: short stacking energy: -90.954
Base-Backbone interact. energy: 0.628
local terms energy: -115.925167
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -26.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -308.552705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.552705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.552705 (E_RNA)
where:
Base-Base interactions energy: -199.664
where: short stacking energy: -90.552
Base-Backbone interact. energy: -0.190
local terms energy: -108.698694
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -25.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -281.455815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.455815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.455815 (E_RNA)
where:
Base-Base interactions energy: -172.796
where: short stacking energy: -83.382
Base-Backbone interact. energy: -0.012
local terms energy: -108.647607
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -28.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -265.450737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.450737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.450737 (E_RNA)
where:
Base-Base interactions energy: -168.104
where: short stacking energy: -71.407
Base-Backbone interact. energy: -0.625
local terms energy: -96.721672
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -19.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -262.384500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.384500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.384500 (E_RNA)
where:
Base-Base interactions energy: -168.996
where: short stacking energy: -89.370
Base-Backbone interact. energy: 0.323
local terms energy: -93.710858
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -23.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -256.534180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.534180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.534180 (E_RNA)
where:
Base-Base interactions energy: -168.452
where: short stacking energy: -67.983
Base-Backbone interact. energy: -1.579
local terms energy: -86.503480
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -260.126778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.126778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.126778 (E_RNA)
where:
Base-Base interactions energy: -176.810
where: short stacking energy: -79.798
Base-Backbone interact. energy: -0.209
local terms energy: -83.107317
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -106.360942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.360942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.360942 (E_RNA)
where:
Base-Base interactions energy: -35.739
where: short stacking energy: -35.739
Base-Backbone interact. energy: -1.178
local terms energy: -69.443579
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: 0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -347.335640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.335640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.335640 (E_RNA)
where:
Base-Base interactions energy: -237.269
where: short stacking energy: -108.586
Base-Backbone interact. energy: -0.210
local terms energy: -109.856323
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -368.023332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.023332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.023332 (E_RNA)
where:
Base-Base interactions energy: -247.892
where: short stacking energy: -110.629
Base-Backbone interact. energy: -0.111
local terms energy: -120.020395
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -19.566
tors. eta vs tors. theta energy: -36.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -349.872181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.872181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.872181 (E_RNA)
where:
Base-Base interactions energy: -253.834
where: short stacking energy: -95.827
Base-Backbone interact. energy: -1.092
local terms energy: -94.946425
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -22.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -306.997326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.997326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.997326 (E_RNA)
where:
Base-Base interactions energy: -206.040
where: short stacking energy: -95.128
Base-Backbone interact. energy: -0.493
local terms energy: -100.464616
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -25.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -281.031672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.031672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.031672 (E_RNA)
where:
Base-Base interactions energy: -176.294
where: short stacking energy: -92.420
Base-Backbone interact. energy: -0.057
local terms energy: -104.681087
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -23.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -261.929230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.929230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.929230 (E_RNA)
where:
Base-Base interactions energy: -170.850
where: short stacking energy: -85.634
Base-Backbone interact. energy: -0.164
local terms energy: -90.915093
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -273.732518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.732518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.732518 (E_RNA)
where:
Base-Base interactions energy: -183.723
where: short stacking energy: -92.718
Base-Backbone interact. energy: -0.058
local terms energy: -89.951670
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -238.662342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.662342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.662342 (E_RNA)
where:
Base-Base interactions energy: -155.167
where: short stacking energy: -73.992
Base-Backbone interact. energy: -0.161
local terms energy: -83.335212
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -9.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -227.064400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.064400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.064400 (E_RNA)
where:
Base-Base interactions energy: -150.845
where: short stacking energy: -58.254
Base-Backbone interact. energy: -0.311
local terms energy: -75.908911
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -10.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -105.526454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.526454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.526454 (E_RNA)
where:
Base-Base interactions energy: -51.146
where: short stacking energy: -36.511
Base-Backbone interact. energy: 0.494
local terms energy: -54.874073
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -19.913
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: 1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -364.228375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.228375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.228375 (E_RNA)
where:
Base-Base interactions energy: -239.742
where: short stacking energy: -111.243
Base-Backbone interact. energy: -2.578
local terms energy: -121.908490
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -25.958
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -32.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -357.089392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.089392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.089392 (E_RNA)
where:
Base-Base interactions energy: -244.345
where: short stacking energy: -86.193
Base-Backbone interact. energy: -0.338
local terms energy: -112.406464
where:
bonds (distance) C4'-P energy: -27.471
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -22.508
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: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -362.647236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.647236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.647236 (E_RNA)
where:
Base-Base interactions energy: -244.527
where: short stacking energy: -110.967
Base-Backbone interact. energy: -0.414
local terms energy: -117.707033
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -24.339
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -35.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -293.032512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.032512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.032512 (E_RNA)
where:
Base-Base interactions energy: -195.407
where: short stacking energy: -79.152
Base-Backbone interact. energy: -0.049
local terms energy: -97.576753
where:
bonds (distance) C4'-P energy: -22.047
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -257.357006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.357006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.357006 (E_RNA)
where:
Base-Base interactions energy: -164.881
where: short stacking energy: -74.464
Base-Backbone interact. energy: 1.671
local terms energy: -94.147010
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -11.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -271.031206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.031206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.031206 (E_RNA)
where:
Base-Base interactions energy: -180.451
where: short stacking energy: -92.274
Base-Backbone interact. energy: -0.445
local terms energy: -90.134736
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -263.169735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.169735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.169735 (E_RNA)
where:
Base-Base interactions energy: -169.080
where: short stacking energy: -83.921
Base-Backbone interact. energy: -0.150
local terms energy: -93.939042
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -19.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -235.346347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.346347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.346347 (E_RNA)
where:
Base-Base interactions energy: -144.271
where: short stacking energy: -65.475
Base-Backbone interact. energy: -1.140
local terms energy: -89.935703
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -191.230846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.230846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.230846 (E_RNA)
where:
Base-Base interactions energy: -119.030
where: short stacking energy: -68.370
Base-Backbone interact. energy: 0.576
local terms energy: -72.776834
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -104.665112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.665112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.665112 (E_RNA)
where:
Base-Base interactions energy: -36.330
where: short stacking energy: -31.274
Base-Backbone interact. energy: -1.876
local terms energy: -66.459047
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -363.627145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.627145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.627145 (E_RNA)
where:
Base-Base interactions energy: -254.682
where: short stacking energy: -97.580
Base-Backbone interact. energy: -1.903
local terms energy: -107.042137
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -359.986308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.986308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.986308 (E_RNA)
where:
Base-Base interactions energy: -244.032
where: short stacking energy: -103.511
Base-Backbone interact. energy: -1.099
local terms energy: -114.855795
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -33.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -361.961935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.961935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.961935 (E_RNA)
where:
Base-Base interactions energy: -236.490
where: short stacking energy: -99.114
Base-Backbone interact. energy: -0.202
local terms energy: -125.269913
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -25.894
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -33.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -297.263881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.263881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.263881 (E_RNA)
where:
Base-Base interactions energy: -193.044
where: short stacking energy: -88.668
Base-Backbone interact. energy: -0.344
local terms energy: -103.875393
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -24.803
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -22.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -292.028968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.028968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.028968 (E_RNA)
where:
Base-Base interactions energy: -186.036
where: short stacking energy: -87.841
Base-Backbone interact. energy: -0.168
local terms energy: -105.824728
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -24.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -268.407812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.407812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.407812 (E_RNA)
where:
Base-Base interactions energy: -172.734
where: short stacking energy: -73.670
Base-Backbone interact. energy: -0.723
local terms energy: -94.950767
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -262.742927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.742927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.742927 (E_RNA)
where:
Base-Base interactions energy: -176.831
where: short stacking energy: -84.577
Base-Backbone interact. energy: -0.131
local terms energy: -85.780267
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -268.486195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.486195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.486195 (E_RNA)
where:
Base-Base interactions energy: -182.256
where: short stacking energy: -74.115
Base-Backbone interact. energy: -0.265
local terms energy: -85.965715
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -223.362666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.362666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.362666 (E_RNA)
where:
Base-Base interactions energy: -145.487
where: short stacking energy: -68.811
Base-Backbone interact. energy: -0.161
local terms energy: -77.713918
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -126.121507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.121507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.121507 (E_RNA)
where:
Base-Base interactions energy: -57.486
where: short stacking energy: -42.647
Base-Backbone interact. energy: -0.253
local terms energy: -68.381910
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -11.212
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: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -364.800483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.800483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.800483 (E_RNA)
where:
Base-Base interactions energy: -253.495
where: short stacking energy: -100.767
Base-Backbone interact. energy: -1.323
local terms energy: -109.982853
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -26.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -348.853564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.853564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.853564 (E_RNA)
where:
Base-Base interactions energy: -237.410
where: short stacking energy: -103.903
Base-Backbone interact. energy: -0.557
local terms energy: -110.886097
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -30.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -350.311858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.311858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.311858 (E_RNA)
where:
Base-Base interactions energy: -248.332
where: short stacking energy: -105.697
Base-Backbone interact. energy: -0.100
local terms energy: -101.880255
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -27.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -309.390680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.390680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.390680 (E_RNA)
where:
Base-Base interactions energy: -198.782
where: short stacking energy: -97.768
Base-Backbone interact. energy: -0.777
local terms energy: -109.831536
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -28.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -279.004120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.004120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.004120 (E_RNA)
where:
Base-Base interactions energy: -184.726
where: short stacking energy: -90.786
Base-Backbone interact. energy: 1.382
local terms energy: -95.660150
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -292.757611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.757611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.757611 (E_RNA)
where:
Base-Base interactions energy: -187.684
where: short stacking energy: -79.022
Base-Backbone interact. energy: -0.698
local terms energy: -104.375380
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -26.853
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -265.192779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.192779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.192779 (E_RNA)
where:
Base-Base interactions energy: -167.360
where: short stacking energy: -79.264
Base-Backbone interact. energy: -2.122
local terms energy: -95.710910
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -284.405585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.405585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.405585 (E_RNA)
where:
Base-Base interactions energy: -193.138
where: short stacking energy: -75.920
Base-Backbone interact. energy: -0.762
local terms energy: -90.505869
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -19.870
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -221.152029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.152029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.152029 (E_RNA)
where:
Base-Base interactions energy: -142.287
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.161
local terms energy: -78.703982
where:
bonds (distance) C4'-P energy: -20.960
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -15.059
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: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -126.522911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.522911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.522911 (E_RNA)
where:
Base-Base interactions energy: -48.529
where: short stacking energy: -41.997
Base-Backbone interact. energy: -0.608
local terms energy: -77.386669
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -9.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -353.902135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.902135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.902135 (E_RNA)
where:
Base-Base interactions energy: -249.566
where: short stacking energy: -96.769
Base-Backbone interact. energy: -0.188
local terms energy: -104.148800
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -23.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -342.771996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.771996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.771996 (E_RNA)
where:
Base-Base interactions energy: -228.722
where: short stacking energy: -87.799
Base-Backbone interact. energy: -1.029
local terms energy: -113.021363
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -24.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -358.280906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.280906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.280906 (E_RNA)
where:
Base-Base interactions energy: -234.762
where: short stacking energy: -98.363
Base-Backbone interact. energy: -0.155
local terms energy: -123.364199
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -23.689
flat angles P-C4'-P energy: -18.074
tors. eta vs tors. theta energy: -35.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -290.764305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.764305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.764305 (E_RNA)
where:
Base-Base interactions energy: -189.373
where: short stacking energy: -83.344
Base-Backbone interact. energy: 0.441
local terms energy: -101.832310
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -27.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -263.816004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.816004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.816004 (E_RNA)
where:
Base-Base interactions energy: -166.167
where: short stacking energy: -88.161
Base-Backbone interact. energy: -0.165
local terms energy: -97.483351
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -22.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -275.444420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.444420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.444420 (E_RNA)
where:
Base-Base interactions energy: -193.161
where: short stacking energy: -85.654
Base-Backbone interact. energy: 0.715
local terms energy: -82.998625
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -266.620366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.620366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.620366 (E_RNA)
where:
Base-Base interactions energy: -179.081
where: short stacking energy: -74.623
Base-Backbone interact. energy: -0.672
local terms energy: -86.867564
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -258.201688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.201688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.201688 (E_RNA)
where:
Base-Base interactions energy: -168.295
where: short stacking energy: -79.657
Base-Backbone interact. energy: -0.197
local terms energy: -89.709937
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -21.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -204.668289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.668289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.668289 (E_RNA)
where:
Base-Base interactions energy: -115.297
where: short stacking energy: -51.458
Base-Backbone interact. energy: -0.365
local terms energy: -89.006967
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -103.878836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.878836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.878836 (E_RNA)
where:
Base-Base interactions energy: -35.924
where: short stacking energy: -35.387
Base-Backbone interact. energy: -0.302
local terms energy: -67.653602
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -2.557
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -363.117835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.117835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.117835 (E_RNA)
where:
Base-Base interactions energy: -243.733
where: short stacking energy: -99.445
Base-Backbone interact. energy: -0.764
local terms energy: -118.620308
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -30.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -359.331660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.331660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.331660 (E_RNA)
where:
Base-Base interactions energy: -235.819
where: short stacking energy: -100.498
Base-Backbone interact. energy: -0.656
local terms energy: -122.856739
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -35.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -345.509025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.509025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.509025 (E_RNA)
where:
Base-Base interactions energy: -234.913
where: short stacking energy: -89.220
Base-Backbone interact. energy: -1.578
local terms energy: -109.018549
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -16.831
tors. eta vs tors. theta energy: -22.929
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: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -279.639430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.639430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.639430 (E_RNA)
where:
Base-Base interactions energy: -198.761
where: short stacking energy: -90.893
Base-Backbone interact. energy: -0.022
local terms energy: -80.857166
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -281.563062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.563062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.563062 (E_RNA)
where:
Base-Base interactions energy: -178.130
where: short stacking energy: -93.166
Base-Backbone interact. energy: -0.006
local terms energy: -103.426939
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -26.196
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -257.134577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.134577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.134577 (E_RNA)
where:
Base-Base interactions energy: -164.396
where: short stacking energy: -68.814
Base-Backbone interact. energy: -1.332
local terms energy: -91.406594
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -277.164666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.164666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.164666 (E_RNA)
where:
Base-Base interactions energy: -169.475
where: short stacking energy: -82.166
Base-Backbone interact. energy: -0.005
local terms energy: -107.684954
where:
bonds (distance) C4'-P energy: -25.289
bonds (distance) P-C4' energy: -24.981
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -23.530
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: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -201.931822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.931822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.931822 (E_RNA)
where:
Base-Base interactions energy: -120.700
where: short stacking energy: -52.959
Base-Backbone interact. energy: -0.183
local terms energy: -81.049044
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -11.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -232.186401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.186401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.186401 (E_RNA)
where:
Base-Base interactions energy: -137.483
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.129
local terms energy: -94.573965
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -18.862
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -119.530364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.530364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.530364 (E_RNA)
where:
Base-Base interactions energy: -54.578
where: short stacking energy: -44.907
Base-Backbone interact. energy: 0.925
local terms energy: -65.877572
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -373.032982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.032982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.032982 (E_RNA)
where:
Base-Base interactions energy: -247.935
where: short stacking energy: -109.068
Base-Backbone interact. energy: -0.070
local terms energy: -125.027513
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -25.603
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -35.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -350.111516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.111516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.111516 (E_RNA)
where:
Base-Base interactions energy: -237.961
where: short stacking energy: -108.263
Base-Backbone interact. energy: 1.464
local terms energy: -113.614111
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -25.528
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: -27.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -336.225989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.225989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.225989 (E_RNA)
where:
Base-Base interactions energy: -233.741
where: short stacking energy: -89.603
Base-Backbone interact. energy: -0.112
local terms energy: -102.373563
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -26.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -298.026571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.026571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.026571 (E_RNA)
where:
Base-Base interactions energy: -189.016
where: short stacking energy: -93.151
Base-Backbone interact. energy: 0.141
local terms energy: -109.151694
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -25.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -261.769551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.769551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.769551 (E_RNA)
where:
Base-Base interactions energy: -165.879
where: short stacking energy: -76.875
Base-Backbone interact. energy: -0.631
local terms energy: -95.259218
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -15.609
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: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -265.612996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.612996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.612996 (E_RNA)
where:
Base-Base interactions energy: -168.962
where: short stacking energy: -78.624
Base-Backbone interact. energy: -0.039
local terms energy: -96.611922
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -260.586382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.586382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.586382 (E_RNA)
where:
Base-Base interactions energy: -171.467
where: short stacking energy: -82.647
Base-Backbone interact. energy: -0.324
local terms energy: -88.795271
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -192.630283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.630283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.630283 (E_RNA)
where:
Base-Base interactions energy: -112.095
where: short stacking energy: -49.790
Base-Backbone interact. energy: -0.119
local terms energy: -80.415603
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -16.608
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -200.357327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.357327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.357327 (E_RNA)
where:
Base-Base interactions energy: -124.744
where: short stacking energy: -55.286
Base-Backbone interact. energy: 2.868
local terms energy: -78.481050
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -123.170852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.170852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.170852 (E_RNA)
where:
Base-Base interactions energy: -42.974
where: short stacking energy: -36.396
Base-Backbone interact. energy: -0.464
local terms energy: -79.733206
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -4.358
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: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -366.123422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.123422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.123422 (E_RNA)
where:
Base-Base interactions energy: -245.414
where: short stacking energy: -105.607
Base-Backbone interact. energy: -0.095
local terms energy: -120.614069
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -28.588
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -33.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -333.080114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.080114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.080114 (E_RNA)
where:
Base-Base interactions energy: -230.122
where: short stacking energy: -92.165
Base-Backbone interact. energy: -1.600
local terms energy: -101.357947
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -340.445200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.445200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.445200 (E_RNA)
where:
Base-Base interactions energy: -222.925
where: short stacking energy: -98.856
Base-Backbone interact. energy: -0.433
local terms energy: -117.087321
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -25.370
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -26.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -288.374909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.374909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.374909 (E_RNA)
where:
Base-Base interactions energy: -186.895
where: short stacking energy: -86.066
Base-Backbone interact. energy: 0.455
local terms energy: -101.935737
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -23.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -287.548709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.548709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.548709 (E_RNA)
where:
Base-Base interactions energy: -181.916
where: short stacking energy: -86.804
Base-Backbone interact. energy: -0.310
local terms energy: -105.322129
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -17.841
tors. eta vs tors. theta energy: -22.521
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: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -249.541100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.541100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.541100 (E_RNA)
where:
Base-Base interactions energy: -160.262
where: short stacking energy: -71.522
Base-Backbone interact. energy: -0.131
local terms energy: -89.147510
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -266.934859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.934859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.934859 (E_RNA)
where:
Base-Base interactions energy: -164.045
where: short stacking energy: -76.412
Base-Backbone interact. energy: 0.085
local terms energy: -102.974530
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -213.348860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.348860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.348860 (E_RNA)
where:
Base-Base interactions energy: -135.044
where: short stacking energy: -71.683
Base-Backbone interact. energy: 3.840
local terms energy: -82.144507
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -26.643
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -193.730396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.730396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.730396 (E_RNA)
where:
Base-Base interactions energy: -121.864
where: short stacking energy: -59.076
Base-Backbone interact. energy: 1.182
local terms energy: -73.048882
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -124.261205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.261205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.261205 (E_RNA)
where:
Base-Base interactions energy: -64.070
where: short stacking energy: -43.363
Base-Backbone interact. energy: -0.538
local terms energy: -59.653114
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -10.570
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: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -365.055526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.055526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.055526 (E_RNA)
where:
Base-Base interactions energy: -247.902
where: short stacking energy: -107.372
Base-Backbone interact. energy: -0.103
local terms energy: -117.050384
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -34.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -347.562870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.562870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.562870 (E_RNA)
where:
Base-Base interactions energy: -237.291
where: short stacking energy: -96.735
Base-Backbone interact. energy: -0.434
local terms energy: -109.838101
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -26.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -326.463163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.463163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.463163 (E_RNA)
where:
Base-Base interactions energy: -226.494
where: short stacking energy: -97.917
Base-Backbone interact. energy: -0.165
local terms energy: -99.803613
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -26.405
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -27.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -283.971644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.971644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.971644 (E_RNA)
where:
Base-Base interactions energy: -180.305
where: short stacking energy: -89.333
Base-Backbone interact. energy: -1.109
local terms energy: -102.558130
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -22.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -277.891367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.891367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.891367 (E_RNA)
where:
Base-Base interactions energy: -180.562
where: short stacking energy: -87.525
Base-Backbone interact. energy: -0.213
local terms energy: -97.116073
where:
bonds (distance) C4'-P energy: -21.819
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -24.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -272.804534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.804534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.804534 (E_RNA)
where:
Base-Base interactions energy: -176.094
where: short stacking energy: -84.221
Base-Backbone interact. energy: -0.379
local terms energy: -96.331212
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -24.261
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -258.528472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.528472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.528472 (E_RNA)
where:
Base-Base interactions energy: -155.556
where: short stacking energy: -79.918
Base-Backbone interact. energy: -0.383
local terms energy: -102.589569
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -22.499
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -193.382275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.382275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.382275 (E_RNA)
where:
Base-Base interactions energy: -109.668
where: short stacking energy: -53.050
Base-Backbone interact. energy: -0.854
local terms energy: -82.859655
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -15.664
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: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -204.840569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.840569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.840569 (E_RNA)
where:
Base-Base interactions energy: -119.928
where: short stacking energy: -54.797
Base-Backbone interact. energy: -0.359
local terms energy: -84.554154
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -128.615506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.615506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.615506 (E_RNA)
where:
Base-Base interactions energy: -61.234
where: short stacking energy: -28.544
Base-Backbone interact. energy: 3.211
local terms energy: -70.592366
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -374.213909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.213909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.213909 (E_RNA)
where:
Base-Base interactions energy: -257.720
where: short stacking energy: -114.760
Base-Backbone interact. energy: -0.020
local terms energy: -116.473456
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -23.342
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -33.418
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: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -327.606766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.606766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.606766 (E_RNA)
where:
Base-Base interactions energy: -221.794
where: short stacking energy: -101.751
Base-Backbone interact. energy: 0.076
local terms energy: -105.889072
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -344.857196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.857196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.857196 (E_RNA)
where:
Base-Base interactions energy: -238.185
where: short stacking energy: -91.888
Base-Backbone interact. energy: -0.558
local terms energy: -106.113972
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -277.291005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.291005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.291005 (E_RNA)
where:
Base-Base interactions energy: -180.260
where: short stacking energy: -85.953
Base-Backbone interact. energy: -0.090
local terms energy: -96.940453
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -286.393459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.393459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.393459 (E_RNA)
where:
Base-Base interactions energy: -173.189
where: short stacking energy: -89.265
Base-Backbone interact. energy: -0.468
local terms energy: -112.736595
where:
bonds (distance) C4'-P energy: -25.535
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -33.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -267.266817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.266817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.266817 (E_RNA)
where:
Base-Base interactions energy: -172.066
where: short stacking energy: -85.365
Base-Backbone interact. energy: -0.069
local terms energy: -95.131801
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -22.884
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -23.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -274.638973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.638973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.638973 (E_RNA)
where:
Base-Base interactions energy: -178.303
where: short stacking energy: -88.014
Base-Backbone interact. energy: -0.101
local terms energy: -96.235265
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -212.302616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.302616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.302616 (E_RNA)
where:
Base-Base interactions energy: -133.710
where: short stacking energy: -50.647
Base-Backbone interact. energy: 1.734
local terms energy: -80.326845
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -24.524
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: 1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -217.742797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.742797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.742797 (E_RNA)
where:
Base-Base interactions energy: -135.140
where: short stacking energy: -69.026
Base-Backbone interact. energy: -1.267
local terms energy: -81.335933
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -97.185873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.185873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.185873 (E_RNA)
where:
Base-Base interactions energy: -41.005
where: short stacking energy: -34.055
Base-Backbone interact. energy: -0.083
local terms energy: -56.097194
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -8.606
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -368.322171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.322171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.322171 (E_RNA)
where:
Base-Base interactions energy: -244.751
where: short stacking energy: -105.801
Base-Backbone interact. energy: -0.065
local terms energy: -123.506443
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -28.022
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -33.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -332.428849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.428849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.428849 (E_RNA)
where:
Base-Base interactions energy: -210.358
where: short stacking energy: -93.781
Base-Backbone interact. energy: -0.140
local terms energy: -121.931361
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -25.728
flat angles C4'-P-C4' energy: -22.872
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -32.091
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: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -322.715979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.715979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.715979 (E_RNA)
where:
Base-Base interactions energy: -220.567
where: short stacking energy: -93.929
Base-Backbone interact. energy: -0.209
local terms energy: -101.940147
where:
bonds (distance) C4'-P energy: -26.553
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -287.528955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.528955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.528955 (E_RNA)
where:
Base-Base interactions energy: -184.494
where: short stacking energy: -85.701
Base-Backbone interact. energy: -0.595
local terms energy: -102.440074
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -19.013
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -283.527858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.527858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.527858 (E_RNA)
where:
Base-Base interactions energy: -183.716
where: short stacking energy: -92.434
Base-Backbone interact. energy: -0.059
local terms energy: -99.753397
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -22.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -276.216610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.216610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.216610 (E_RNA)
where:
Base-Base interactions energy: -177.446
where: short stacking energy: -83.301
Base-Backbone interact. energy: -0.058
local terms energy: -98.712614
where:
bonds (distance) C4'-P energy: -24.769
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -262.784605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.784605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.784605 (E_RNA)
where:
Base-Base interactions energy: -177.862
where: short stacking energy: -63.969
Base-Backbone interact. energy: -0.296
local terms energy: -84.627120
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -211.032827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.032827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.032827 (E_RNA)
where:
Base-Base interactions energy: -137.021
where: short stacking energy: -60.519
Base-Backbone interact. energy: 0.229
local terms energy: -74.240557
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -8.276
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: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -203.203667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.203667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.203667 (E_RNA)
where:
Base-Base interactions energy: -121.732
where: short stacking energy: -62.049
Base-Backbone interact. energy: -0.409
local terms energy: -81.062537
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -119.485643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.485643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.485643 (E_RNA)
where:
Base-Base interactions energy: -60.679
where: short stacking energy: -26.467
Base-Backbone interact. energy: -1.813
local terms energy: -56.993916
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -372.367144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.367144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.367144 (E_RNA)
where:
Base-Base interactions energy: -251.470
where: short stacking energy: -111.070
Base-Backbone interact. energy: -0.483
local terms energy: -120.413840
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -25.970
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -33.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -346.075686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.075686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.075686 (E_RNA)
where:
Base-Base interactions energy: -229.034
where: short stacking energy: -97.409
Base-Backbone interact. energy: -0.319
local terms energy: -116.723242
where:
bonds (distance) C4'-P energy: -27.530
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -19.992
tors. eta vs tors. theta energy: -24.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -323.033829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.033829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.033829 (E_RNA)
where:
Base-Base interactions energy: -219.868
where: short stacking energy: -88.662
Base-Backbone interact. energy: -1.380
local terms energy: -101.785201
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -26.988
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: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -300.140721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.140721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.140721 (E_RNA)
where:
Base-Base interactions energy: -195.723
where: short stacking energy: -98.063
Base-Backbone interact. energy: -0.225
local terms energy: -104.192541
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -26.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -281.182414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.182414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.182414 (E_RNA)
where:
Base-Base interactions energy: -182.667
where: short stacking energy: -87.952
Base-Backbone interact. energy: -0.122
local terms energy: -98.394075
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -26.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -260.731133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.731133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.731133 (E_RNA)
where:
Base-Base interactions energy: -170.588
where: short stacking energy: -70.176
Base-Backbone interact. energy: 0.291
local terms energy: -90.434362
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -25.273
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -277.357131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.357131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.357131 (E_RNA)
where:
Base-Base interactions energy: -189.530
where: short stacking energy: -82.553
Base-Backbone interact. energy: -0.456
local terms energy: -87.371154
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -250.263095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.263095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.263095 (E_RNA)
where:
Base-Base interactions energy: -157.827
where: short stacking energy: -72.590
Base-Backbone interact. energy: -0.207
local terms energy: -92.229419
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -203.051330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.051330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.051330 (E_RNA)
where:
Base-Base interactions energy: -140.805
where: short stacking energy: -73.822
Base-Backbone interact. energy: 1.644
local terms energy: -63.890691
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -121.170223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.170223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.170223 (E_RNA)
where:
Base-Base interactions energy: -54.162
where: short stacking energy: -30.442
Base-Backbone interact. energy: -0.973
local terms energy: -66.035484
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: 0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -375.106204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.106204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.106204 (E_RNA)
where:
Base-Base interactions energy: -256.438
where: short stacking energy: -119.729
Base-Backbone interact. energy: -0.020
local terms energy: -118.647928
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -26.203
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -31.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -353.717179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.717179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.717179 (E_RNA)
where:
Base-Base interactions energy: -245.815
where: short stacking energy: -104.938
Base-Backbone interact. energy: -0.196
local terms energy: -107.705680
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -24.867
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -28.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -334.459975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.459975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.459975 (E_RNA)
where:
Base-Base interactions energy: -224.730
where: short stacking energy: -87.409
Base-Backbone interact. energy: -0.345
local terms energy: -109.384421
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -24.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -300.128645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.128645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.128645 (E_RNA)
where:
Base-Base interactions energy: -186.736
where: short stacking energy: -104.394
Base-Backbone interact. energy: -0.101
local terms energy: -113.291188
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -31.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -285.475489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.475489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.475489 (E_RNA)
where:
Base-Base interactions energy: -188.913
where: short stacking energy: -82.464
Base-Backbone interact. energy: -0.669
local terms energy: -95.893891
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -264.028629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.028629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.028629 (E_RNA)
where:
Base-Base interactions energy: -166.335
where: short stacking energy: -82.838
Base-Backbone interact. energy: -0.657
local terms energy: -97.036996
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -237.325082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.325082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.325082 (E_RNA)
where:
Base-Base interactions energy: -143.470
where: short stacking energy: -62.050
Base-Backbone interact. energy: -0.343
local terms energy: -93.512164
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -236.468842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.468842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.468842 (E_RNA)
where:
Base-Base interactions energy: -159.339
where: short stacking energy: -62.486
Base-Backbone interact. energy: -0.119
local terms energy: -77.010714
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -245.950784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.950784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.950784 (E_RNA)
where:
Base-Base interactions energy: -149.397
where: short stacking energy: -69.882
Base-Backbone interact. energy: -0.236
local terms energy: -96.317481
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -26.187
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -107.519528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.519528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.519528 (E_RNA)
where:
Base-Base interactions energy: -34.920
where: short stacking energy: -25.671
Base-Backbone interact. energy: 0.465
local terms energy: -73.065305
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -26.132
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: 0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -367.060312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.060312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.060312 (E_RNA)
where:
Base-Base interactions energy: -248.458
where: short stacking energy: -113.383
Base-Backbone interact. energy: -0.039
local terms energy: -118.563033
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -36.124
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: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -345.416306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.416306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.416306 (E_RNA)
where:
Base-Base interactions energy: -232.288
where: short stacking energy: -95.858
Base-Backbone interact. energy: -0.307
local terms energy: -112.821091
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -25.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -321.333549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.333549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.333549 (E_RNA)
where:
Base-Base interactions energy: -215.393
where: short stacking energy: -80.955
Base-Backbone interact. energy: -1.081
local terms energy: -104.859065
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -25.084
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -281.121158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.121158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.121158 (E_RNA)
where:
Base-Base interactions energy: -185.379
where: short stacking energy: -81.632
Base-Backbone interact. energy: -0.557
local terms energy: -95.184944
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -278.498889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.498889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.498889 (E_RNA)
where:
Base-Base interactions energy: -191.427
where: short stacking energy: -73.632
Base-Backbone interact. energy: 0.513
local terms energy: -87.585103
where:
bonds (distance) C4'-P energy: -24.724
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -263.147878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.147878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.147878 (E_RNA)
where:
Base-Base interactions energy: -177.666
where: short stacking energy: -86.794
Base-Backbone interact. energy: -0.432
local terms energy: -85.049468
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -267.297811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.297811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.297811 (E_RNA)
where:
Base-Base interactions energy: -175.108
where: short stacking energy: -81.811
Base-Backbone interact. energy: -0.140
local terms energy: -92.049191
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -246.001932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.001932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.001932 (E_RNA)
where:
Base-Base interactions energy: -157.772
where: short stacking energy: -71.300
Base-Backbone interact. energy: -0.214
local terms energy: -88.015704
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -230.085741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.085741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.085741 (E_RNA)
where:
Base-Base interactions energy: -136.900
where: short stacking energy: -63.939
Base-Backbone interact. energy: -0.065
local terms energy: -93.120726
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -17.352
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: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -113.228662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.228662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.228662 (E_RNA)
where:
Base-Base interactions energy: -47.933
where: short stacking energy: -39.716
Base-Backbone interact. energy: -1.082
local terms energy: -64.213656
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: 1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -346.466960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.466960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.466960 (E_RNA)
where:
Base-Base interactions energy: -233.698
where: short stacking energy: -92.852
Base-Backbone interact. energy: -1.552
local terms energy: -111.217147
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -23.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -364.416133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.416133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.416133 (E_RNA)
where:
Base-Base interactions energy: -249.374
where: short stacking energy: -101.856
Base-Backbone interact. energy: -0.217
local terms energy: -114.825458
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -32.791
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: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -331.518034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.518034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.518034 (E_RNA)
where:
Base-Base interactions energy: -220.660
where: short stacking energy: -92.009
Base-Backbone interact. energy: -0.350
local terms energy: -110.507525
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -22.919
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: 4, replica: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -281.896646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.896646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.896646 (E_RNA)
where:
Base-Base interactions energy: -184.167
where: short stacking energy: -74.533
Base-Backbone interact. energy: -0.297
local terms energy: -97.433551
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -285.785711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.785711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.785711 (E_RNA)
where:
Base-Base interactions energy: -187.328
where: short stacking energy: -66.922
Base-Backbone interact. energy: -0.160
local terms energy: -98.297381
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -274.586121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.586121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.586121 (E_RNA)
where:
Base-Base interactions energy: -177.004
where: short stacking energy: -86.705
Base-Backbone interact. energy: -0.081
local terms energy: -97.501330
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -273.756864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.756864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.756864 (E_RNA)
where:
Base-Base interactions energy: -176.896
where: short stacking energy: -73.335
Base-Backbone interact. energy: -1.286
local terms energy: -95.574132
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -13.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -240.750014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.750014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.750014 (E_RNA)
where:
Base-Base interactions energy: -153.842
where: short stacking energy: -72.725
Base-Backbone interact. energy: -0.310
local terms energy: -86.597969
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -4.787
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -234.203405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.203405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.203405 (E_RNA)
where:
Base-Base interactions energy: -151.981
where: short stacking energy: -64.039
Base-Backbone interact. energy: -0.118
local terms energy: -82.104067
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -119.477212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.477212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.477212 (E_RNA)
where:
Base-Base interactions energy: -54.814
where: short stacking energy: -43.320
Base-Backbone interact. energy: -0.269
local terms energy: -64.394072
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -344.316017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.316017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.316017 (E_RNA)
where:
Base-Base interactions energy: -236.645
where: short stacking energy: -92.365
Base-Backbone interact. energy: 0.476
local terms energy: -108.147428
where:
bonds (distance) C4'-P energy: -24.228
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -368.081924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.081924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.081924 (E_RNA)
where:
Base-Base interactions energy: -256.638
where: short stacking energy: -108.400
Base-Backbone interact. energy: -0.063
local terms energy: -111.380860
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -24.859
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -32.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -337.100880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.100880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.100880 (E_RNA)
where:
Base-Base interactions energy: -232.861
where: short stacking energy: -102.571
Base-Backbone interact. energy: -0.341
local terms energy: -103.898514
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -25.586
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -29.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -287.268135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.268135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.268135 (E_RNA)
where:
Base-Base interactions energy: -187.662
where: short stacking energy: -90.919
Base-Backbone interact. energy: -0.223
local terms energy: -99.382739
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -277.959008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.959008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.959008 (E_RNA)
where:
Base-Base interactions energy: -177.797
where: short stacking energy: -87.029
Base-Backbone interact. energy: 0.225
local terms energy: -100.387374
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -21.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -263.163802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.163802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.163802 (E_RNA)
where:
Base-Base interactions energy: -157.444
where: short stacking energy: -67.107
Base-Backbone interact. energy: -0.706
local terms energy: -105.013525
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -260.430577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.430577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.430577 (E_RNA)
where:
Base-Base interactions energy: -166.623
where: short stacking energy: -79.360
Base-Backbone interact. energy: -0.358
local terms energy: -93.448964
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -242.874393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.874393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.874393 (E_RNA)
where:
Base-Base interactions energy: -162.061
where: short stacking energy: -70.267
Base-Backbone interact. energy: -0.167
local terms energy: -80.646847
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -256.469358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.469358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.469358 (E_RNA)
where:
Base-Base interactions energy: -159.708
where: short stacking energy: -76.415
Base-Backbone interact. energy: -0.694
local terms energy: -96.067192
where:
bonds (distance) C4'-P energy: -20.233
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -22.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -110.767490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.767490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.767490 (E_RNA)
where:
Base-Base interactions energy: -44.005
where: short stacking energy: -35.252
Base-Backbone interact. energy: -0.277
local terms energy: -66.485942
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -20.089
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -373.551719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.551719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.551719 (E_RNA)
where:
Base-Base interactions energy: -253.983
where: short stacking energy: -109.478
Base-Backbone interact. energy: -0.054
local terms energy: -119.514144
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -32.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -342.403675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.403675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.403675 (E_RNA)
where:
Base-Base interactions energy: -230.718
where: short stacking energy: -101.780
Base-Backbone interact. energy: -1.182
local terms energy: -110.503804
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -29.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -311.764518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.764518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.764518 (E_RNA)
where:
Base-Base interactions energy: -202.666
where: short stacking energy: -95.199
Base-Backbone interact. energy: -0.080
local terms energy: -109.019255
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -26.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -324.564565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.564565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.564565 (E_RNA)
where:
Base-Base interactions energy: -217.646
where: short stacking energy: -94.465
Base-Backbone interact. energy: -0.145
local terms energy: -106.773659
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -278.560637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.560637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.560637 (E_RNA)
where:
Base-Base interactions energy: -175.338
where: short stacking energy: -83.389
Base-Backbone interact. energy: -0.193
local terms energy: -103.030296
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -23.712
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -263.208830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.208830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.208830 (E_RNA)
where:
Base-Base interactions energy: -168.786
where: short stacking energy: -76.860
Base-Backbone interact. energy: -0.272
local terms energy: -94.150434
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -266.318987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.318987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.318987 (E_RNA)
where:
Base-Base interactions energy: -174.500
where: short stacking energy: -76.446
Base-Backbone interact. energy: -0.382
local terms energy: -91.436961
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -251.525409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.525409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.525409 (E_RNA)
where:
Base-Base interactions energy: -161.706
where: short stacking energy: -73.652
Base-Backbone interact. energy: -0.164
local terms energy: -89.655608
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -262.494966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.494966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.494966 (E_RNA)
where:
Base-Base interactions energy: -174.418
where: short stacking energy: -74.942
Base-Backbone interact. energy: 1.419
local terms energy: -89.495426
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -107.789596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.789596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.789596 (E_RNA)
where:
Base-Base interactions energy: -32.307
where: short stacking energy: -29.498
Base-Backbone interact. energy: -0.075
local terms energy: -75.407671
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -373.620447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.620447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.620447 (E_RNA)
where:
Base-Base interactions energy: -262.153
where: short stacking energy: -119.379
Base-Backbone interact. energy: -0.158
local terms energy: -111.309043
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -23.202
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -32.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -340.160684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.160684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.160684 (E_RNA)
where:
Base-Base interactions energy: -231.486
where: short stacking energy: -97.817
Base-Backbone interact. energy: -0.578
local terms energy: -108.096095
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -20.604
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -29.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -307.762267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.762267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.762267 (E_RNA)
where:
Base-Base interactions energy: -203.952
where: short stacking energy: -91.550
Base-Backbone interact. energy: -0.124
local terms energy: -103.685523
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -27.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -324.401242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.401242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.401242 (E_RNA)
where:
Base-Base interactions energy: -222.943
where: short stacking energy: -91.164
Base-Backbone interact. energy: -0.268
local terms energy: -101.189872
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -25.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -287.321391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.321391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.321391 (E_RNA)
where:
Base-Base interactions energy: -191.253
where: short stacking energy: -81.029
Base-Backbone interact. energy: -0.255
local terms energy: -95.813535
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -24.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -270.828141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.828141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.828141 (E_RNA)
where:
Base-Base interactions energy: -180.748
where: short stacking energy: -71.234
Base-Backbone interact. energy: -0.175
local terms energy: -89.904998
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -260.625825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.625825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.625825 (E_RNA)
where:
Base-Base interactions energy: -159.627
where: short stacking energy: -76.834
Base-Backbone interact. energy: -0.179
local terms energy: -100.819050
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -249.625303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.625303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.625303 (E_RNA)
where:
Base-Base interactions energy: -156.927
where: short stacking energy: -71.113
Base-Backbone interact. energy: -0.055
local terms energy: -92.643253
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -243.356185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.356185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.356185 (E_RNA)
where:
Base-Base interactions energy: -147.400
where: short stacking energy: -62.266
Base-Backbone interact. energy: 0.756
local terms energy: -96.712518
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -23.470
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -132.720714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.720714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.720714 (E_RNA)
where:
Base-Base interactions energy: -61.435
where: short stacking energy: -53.219
Base-Backbone interact. energy: -0.054
local terms energy: -71.231554
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -376.794051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.794051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.794051 (E_RNA)
where:
Base-Base interactions energy: -252.134
where: short stacking energy: -112.130
Base-Backbone interact. energy: -0.158
local terms energy: -124.502109
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -24.673
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -33.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -326.052169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.052169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.052169 (E_RNA)
where:
Base-Base interactions energy: -223.538
where: short stacking energy: -92.097
Base-Backbone interact. energy: -0.524
local terms energy: -101.990275
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -26.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -325.789694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.789694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.789694 (E_RNA)
where:
Base-Base interactions energy: -219.819
where: short stacking energy: -92.058
Base-Backbone interact. energy: -1.377
local terms energy: -104.593780
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -25.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -279.310839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.310839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.310839 (E_RNA)
where:
Base-Base interactions energy: -180.068
where: short stacking energy: -84.475
Base-Backbone interact. energy: 0.317
local terms energy: -99.560419
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -283.728061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.728061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.728061 (E_RNA)
where:
Base-Base interactions energy: -171.766
where: short stacking energy: -82.218
Base-Backbone interact. energy: -2.516
local terms energy: -109.446945
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -26.231
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -25.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -260.064743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.064743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.064743 (E_RNA)
where:
Base-Base interactions energy: -154.680
where: short stacking energy: -69.662
Base-Backbone interact. energy: -0.256
local terms energy: -105.128524
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -254.994684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.994684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.994684 (E_RNA)
where:
Base-Base interactions energy: -161.118
where: short stacking energy: -80.715
Base-Backbone interact. energy: -0.124
local terms energy: -93.752419
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -23.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -247.220850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.220850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.220850 (E_RNA)
where:
Base-Base interactions energy: -160.754
where: short stacking energy: -68.184
Base-Backbone interact. energy: -0.362
local terms energy: -86.105016
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -197.518016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.518016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.518016 (E_RNA)
where:
Base-Base interactions energy: -122.242
where: short stacking energy: -59.612
Base-Backbone interact. energy: -0.479
local terms energy: -74.796771
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -10.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -107.859023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.859023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.859023 (E_RNA)
where:
Base-Base interactions energy: -38.975
where: short stacking energy: -36.217
Base-Backbone interact. energy: 0.103
local terms energy: -68.986917
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -372.773093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.773093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.773093 (E_RNA)
where:
Base-Base interactions energy: -250.100
where: short stacking energy: -111.379
Base-Backbone interact. energy: -0.125
local terms energy: -122.547712
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -36.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -335.824058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.824058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.824058 (E_RNA)
where:
Base-Base interactions energy: -222.222
where: short stacking energy: -87.141
Base-Backbone interact. energy: -0.186
local terms energy: -113.415684
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -319.319046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.319046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.319046 (E_RNA)
where:
Base-Base interactions energy: -219.764
where: short stacking energy: -94.929
Base-Backbone interact. energy: -2.346
local terms energy: -97.209126
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -24.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -293.821795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.821795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.821795 (E_RNA)
where:
Base-Base interactions energy: -193.578
where: short stacking energy: -79.873
Base-Backbone interact. energy: 0.982
local terms energy: -101.225435
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -271.683834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.683834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.683834 (E_RNA)
where:
Base-Base interactions energy: -177.559
where: short stacking energy: -72.358
Base-Backbone interact. energy: -0.331
local terms energy: -93.793986
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -26.801
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -8.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -252.810442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.810442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.810442 (E_RNA)
where:
Base-Base interactions energy: -162.079
where: short stacking energy: -67.835
Base-Backbone interact. energy: -0.024
local terms energy: -90.707949
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -275.936184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.936184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.936184 (E_RNA)
where:
Base-Base interactions energy: -169.361
where: short stacking energy: -88.380
Base-Backbone interact. energy: -0.322
local terms energy: -106.253207
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -25.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -251.814610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.814610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.814610 (E_RNA)
where:
Base-Base interactions energy: -153.399
where: short stacking energy: -69.580
Base-Backbone interact. energy: -0.154
local terms energy: -98.261421
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -19.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -216.880703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.880703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.880703 (E_RNA)
where:
Base-Base interactions energy: -139.122
where: short stacking energy: -62.104
Base-Backbone interact. energy: -0.311
local terms energy: -77.447769
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -109.444702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.444702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.444702 (E_RNA)
where:
Base-Base interactions energy: -42.728
where: short stacking energy: -37.576
Base-Backbone interact. energy: -0.295
local terms energy: -66.422124
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -27.231
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -367.279567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.279567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.279567 (E_RNA)
where:
Base-Base interactions energy: -251.817
where: short stacking energy: -104.831
Base-Backbone interact. energy: -0.350
local terms energy: -115.113463
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -27.253
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -30.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -336.003586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.003586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.003586 (E_RNA)
where:
Base-Base interactions energy: -222.074
where: short stacking energy: -100.393
Base-Backbone interact. energy: -0.366
local terms energy: -113.563184
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -31.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -306.565456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.565456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.565456 (E_RNA)
where:
Base-Base interactions energy: -198.543
where: short stacking energy: -100.332
Base-Backbone interact. energy: -0.094
local terms energy: -107.928312
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -26.705
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -29.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -325.122224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.122224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.122224 (E_RNA)
where:
Base-Base interactions energy: -219.583
where: short stacking energy: -82.226
Base-Backbone interact. energy: -0.590
local terms energy: -104.949322
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -295.664451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.664451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.664451 (E_RNA)
where:
Base-Base interactions energy: -191.506
where: short stacking energy: -85.812
Base-Backbone interact. energy: -0.908
local terms energy: -103.250988
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -265.014753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.014753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.014753 (E_RNA)
where:
Base-Base interactions energy: -171.292
where: short stacking energy: -63.149
Base-Backbone interact. energy: -0.308
local terms energy: -93.414042
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -251.512659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.512659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.512659 (E_RNA)
where:
Base-Base interactions energy: -158.321
where: short stacking energy: -69.231
Base-Backbone interact. energy: -0.192
local terms energy: -93.000219
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -255.720793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.720793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.720793 (E_RNA)
where:
Base-Base interactions energy: -158.608
where: short stacking energy: -66.444
Base-Backbone interact. energy: -0.285
local terms energy: -96.827542
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -206.574937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.574937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.574937 (E_RNA)
where:
Base-Base interactions energy: -117.180
where: short stacking energy: -57.997
Base-Backbone interact. energy: -0.240
local terms energy: -89.154810
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -27.158
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -14.364
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: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -110.059644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.059644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.059644 (E_RNA)
where:
Base-Base interactions energy: -42.642
where: short stacking energy: -34.230
Base-Backbone interact. energy: 0.636
local terms energy: -68.053383
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: 1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -370.039158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.039158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.039158 (E_RNA)
where:
Base-Base interactions energy: -249.718
where: short stacking energy: -114.561
Base-Backbone interact. energy: -0.002
local terms energy: -120.318631
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -31.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -342.913040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.913040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.913040 (E_RNA)
where:
Base-Base interactions energy: -233.158
where: short stacking energy: -98.691
Base-Backbone interact. energy: -1.063
local terms energy: -108.691157
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -24.564
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -28.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -278.093528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.093528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.093528 (E_RNA)
where:
Base-Base interactions energy: -180.634
where: short stacking energy: -80.772
Base-Backbone interact. energy: -0.054
local terms energy: -97.405185
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -329.350709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.350709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.350709 (E_RNA)
where:
Base-Base interactions energy: -219.682
where: short stacking energy: -98.389
Base-Backbone interact. energy: 4.290
local terms energy: -113.959164
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -30.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -289.534615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.534615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.534615 (E_RNA)
where:
Base-Base interactions energy: -189.876
where: short stacking energy: -87.205
Base-Backbone interact. energy: -0.268
local terms energy: -99.391538
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -25.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -263.682563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.682563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.682563 (E_RNA)
where:
Base-Base interactions energy: -167.573
where: short stacking energy: -70.930
Base-Backbone interact. energy: -0.496
local terms energy: -95.614234
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -251.565999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.565999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.565999 (E_RNA)
where:
Base-Base interactions energy: -167.613
where: short stacking energy: -71.143
Base-Backbone interact. energy: -0.468
local terms energy: -83.485054
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -243.563207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.563207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.563207 (E_RNA)
where:
Base-Base interactions energy: -170.057
where: short stacking energy: -74.247
Base-Backbone interact. energy: 0.611
local terms energy: -74.117391
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -252.814227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.814227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.814227 (E_RNA)
where:
Base-Base interactions energy: -169.034
where: short stacking energy: -86.002
Base-Backbone interact. energy: 0.251
local terms energy: -84.031629
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -104.169005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.169005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.169005 (E_RNA)
where:
Base-Base interactions energy: -34.693
where: short stacking energy: -31.683
Base-Backbone interact. energy: 0.895
local terms energy: -70.371022
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: 2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -369.368785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.368785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.368785 (E_RNA)
where:
Base-Base interactions energy: -252.574
where: short stacking energy: -112.864
Base-Backbone interact. energy: -0.098
local terms energy: -116.696108
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -31.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -340.700218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.700218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.700218 (E_RNA)
where:
Base-Base interactions energy: -231.014
where: short stacking energy: -102.294
Base-Backbone interact. energy: 0.180
local terms energy: -109.866048
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -30.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -333.994262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.994262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.994262 (E_RNA)
where:
Base-Base interactions energy: -224.029
where: short stacking energy: -99.136
Base-Backbone interact. energy: -0.282
local terms energy: -109.683214
where:
bonds (distance) C4'-P energy: -23.622
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -26.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -277.487097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.487097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.487097 (E_RNA)
where:
Base-Base interactions energy: -176.049
where: short stacking energy: -71.620
Base-Backbone interact. energy: -0.189
local terms energy: -101.248840
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -279.205002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.205002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.205002 (E_RNA)
where:
Base-Base interactions energy: -173.025
where: short stacking energy: -87.552
Base-Backbone interact. energy: 0.298
local terms energy: -106.478435
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -270.164881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.164881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.164881 (E_RNA)
where:
Base-Base interactions energy: -176.385
where: short stacking energy: -78.604
Base-Backbone interact. energy: -0.397
local terms energy: -93.383285
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -261.538674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.538674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.538674 (E_RNA)
where:
Base-Base interactions energy: -165.254
where: short stacking energy: -76.306
Base-Backbone interact. energy: -0.110
local terms energy: -96.174422
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -239.883376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.883376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.883376 (E_RNA)
where:
Base-Base interactions energy: -144.827
where: short stacking energy: -57.904
Base-Backbone interact. energy: -0.890
local terms energy: -94.166531
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -17.975
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -206.666291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.666291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.666291 (E_RNA)
where:
Base-Base interactions energy: -130.614
where: short stacking energy: -59.724
Base-Backbone interact. energy: -0.261
local terms energy: -75.790868
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -135.712090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.712090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.712090 (E_RNA)
where:
Base-Base interactions energy: -59.135
where: short stacking energy: -32.672
Base-Backbone interact. energy: -0.819
local terms energy: -75.758128
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -376.176251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.176251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.176251 (E_RNA)
where:
Base-Base interactions energy: -257.531
where: short stacking energy: -118.297
Base-Backbone interact. energy: -0.041
local terms energy: -118.604096
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -34.458
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: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -343.241570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.241570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.241570 (E_RNA)
where:
Base-Base interactions energy: -221.764
where: short stacking energy: -102.788
Base-Backbone interact. energy: -0.104
local terms energy: -121.373179
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -26.618
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -31.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -315.074632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.074632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.074632 (E_RNA)
where:
Base-Base interactions energy: -213.962
where: short stacking energy: -93.558
Base-Backbone interact. energy: -1.284
local terms energy: -99.828094
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -289.838427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.838427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.838427 (E_RNA)
where:
Base-Base interactions energy: -187.165
where: short stacking energy: -88.696
Base-Backbone interact. energy: -0.534
local terms energy: -102.139541
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -296.028801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.028801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.028801 (E_RNA)
where:
Base-Base interactions energy: -197.382
where: short stacking energy: -86.263
Base-Backbone interact. energy: -0.172
local terms energy: -98.474671
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -270.600128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.600128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.600128 (E_RNA)
where:
Base-Base interactions energy: -179.827
where: short stacking energy: -80.411
Base-Backbone interact. energy: -0.162
local terms energy: -90.611168
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -264.394808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.394808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.394808 (E_RNA)
where:
Base-Base interactions energy: -172.764
where: short stacking energy: -82.229
Base-Backbone interact. energy: -0.195
local terms energy: -91.435956
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -216.910310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.910310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.910310 (E_RNA)
where:
Base-Base interactions energy: -128.582
where: short stacking energy: -49.024
Base-Backbone interact. energy: -0.109
local terms energy: -88.219337
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -23.101
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -211.202638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.202638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.202638 (E_RNA)
where:
Base-Base interactions energy: -127.689
where: short stacking energy: -63.083
Base-Backbone interact. energy: -0.208
local terms energy: -83.305393
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -108.118557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.118557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.118557 (E_RNA)
where:
Base-Base interactions energy: -39.322
where: short stacking energy: -31.588
Base-Backbone interact. energy: -0.225
local terms energy: -68.571488
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -370.653268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.653268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.653268 (E_RNA)
where:
Base-Base interactions energy: -248.257
where: short stacking energy: -112.251
Base-Backbone interact. energy: -0.888
local terms energy: -121.508559
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -33.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -339.079731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.079731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.079731 (E_RNA)
where:
Base-Base interactions energy: -228.268
where: short stacking energy: -93.365
Base-Backbone interact. energy: -0.954
local terms energy: -109.857715
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -17.582
tors. eta vs tors. theta energy: -25.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -313.390608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.390608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.390608 (E_RNA)
where:
Base-Base interactions energy: -203.544
where: short stacking energy: -92.141
Base-Backbone interact. energy: -0.938
local terms energy: -108.908918
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -26.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -319.613345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.613345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.613345 (E_RNA)
where:
Base-Base interactions energy: -213.633
where: short stacking energy: -94.970
Base-Backbone interact. energy: 0.278
local terms energy: -106.258293
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: -26.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -259.609748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.609748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.609748 (E_RNA)
where:
Base-Base interactions energy: -167.169
where: short stacking energy: -89.494
Base-Backbone interact. energy: -0.757
local terms energy: -91.683428
where:
bonds (distance) C4'-P energy: -8.012
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -270.806008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.806008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.806008 (E_RNA)
where:
Base-Base interactions energy: -179.094
where: short stacking energy: -78.079
Base-Backbone interact. energy: -0.064
local terms energy: -91.647730
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -236.072914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.072914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.072914 (E_RNA)
where:
Base-Base interactions energy: -141.215
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.415
local terms energy: -94.442923
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -252.355088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.355088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.355088 (E_RNA)
where:
Base-Base interactions energy: -154.827
where: short stacking energy: -69.832
Base-Backbone interact. energy: -0.523
local terms energy: -97.005366
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -201.315915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.315915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.315915 (E_RNA)
where:
Base-Base interactions energy: -120.213
where: short stacking energy: -56.270
Base-Backbone interact. energy: 0.489
local terms energy: -81.591976
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -98.933255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.933255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.933255 (E_RNA)
where:
Base-Base interactions energy: -30.074
where: short stacking energy: -30.074
Base-Backbone interact. energy: 0.589
local terms energy: -69.447488
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -14.529
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: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -374.038962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.038962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.038962 (E_RNA)
where:
Base-Base interactions energy: -249.621
where: short stacking energy: -111.157
Base-Backbone interact. energy: -0.167
local terms energy: -124.251544
where:
bonds (distance) C4'-P energy: -24.364
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -25.683
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -32.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -327.297834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.297834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.297834 (E_RNA)
where:
Base-Base interactions energy: -216.254
where: short stacking energy: -86.854
Base-Backbone interact. energy: -0.576
local terms energy: -110.468109
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -19.054
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -323.393611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.393611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.393611 (E_RNA)
where:
Base-Base interactions energy: -220.301
where: short stacking energy: -85.647
Base-Backbone interact. energy: -0.192
local terms energy: -102.900403
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -26.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -325.967971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.967971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.967971 (E_RNA)
where:
Base-Base interactions energy: -213.840
where: short stacking energy: -89.500
Base-Backbone interact. energy: -0.444
local terms energy: -111.684627
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -260.550511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.550511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.550511 (E_RNA)
where:
Base-Base interactions energy: -151.658
where: short stacking energy: -78.863
Base-Backbone interact. energy: -0.022
local terms energy: -108.870024
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -24.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -270.200674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.200674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.200674 (E_RNA)
where:
Base-Base interactions energy: -171.240
where: short stacking energy: -83.554
Base-Backbone interact. energy: -0.115
local terms energy: -98.845593
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -251.938711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.938711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.938711 (E_RNA)
where:
Base-Base interactions energy: -166.361
where: short stacking energy: -75.599
Base-Backbone interact. energy: -0.924
local terms energy: -84.653905
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -219.543216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.543216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.543216 (E_RNA)
where:
Base-Base interactions energy: -132.756
where: short stacking energy: -56.407
Base-Backbone interact. energy: -0.646
local terms energy: -86.141189
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -24.889
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -203.419705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.419705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.419705 (E_RNA)
where:
Base-Base interactions energy: -116.918
where: short stacking energy: -57.995
Base-Backbone interact. energy: 0.778
local terms energy: -87.279648
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -110.987721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.987721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.987721 (E_RNA)
where:
Base-Base interactions energy: -41.340
where: short stacking energy: -31.819
Base-Backbone interact. energy: -1.216
local terms energy: -68.431808
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -368.515408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.515408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.515408 (E_RNA)
where:
Base-Base interactions energy: -256.292
where: short stacking energy: -107.592
Base-Backbone interact. energy: -0.214
local terms energy: -112.009486
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -31.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -330.722169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.722169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.722169 (E_RNA)
where:
Base-Base interactions energy: -219.255
where: short stacking energy: -98.231
Base-Backbone interact. energy: -0.562
local terms energy: -110.904560
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -22.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -324.756979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.756979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.756979 (E_RNA)
where:
Base-Base interactions energy: -228.815
where: short stacking energy: -95.838
Base-Backbone interact. energy: 0.113
local terms energy: -96.054660
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -292.377993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.377993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.377993 (E_RNA)
where:
Base-Base interactions energy: -192.580
where: short stacking energy: -93.263
Base-Backbone interact. energy: -0.457
local terms energy: -99.341549
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -275.299521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.299521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.299521 (E_RNA)
where:
Base-Base interactions energy: -168.906
where: short stacking energy: -83.052
Base-Backbone interact. energy: -0.006
local terms energy: -106.386920
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -25.704
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -23.273
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: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -266.499673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.499673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.499673 (E_RNA)
where:
Base-Base interactions energy: -169.283
where: short stacking energy: -80.492
Base-Backbone interact. energy: -0.235
local terms energy: -96.981670
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -19.609
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -243.375693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.375693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.375693 (E_RNA)
where:
Base-Base interactions energy: -148.179
where: short stacking energy: -68.760
Base-Backbone interact. energy: -1.079
local terms energy: -94.118274
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -232.407591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.407591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.407591 (E_RNA)
where:
Base-Base interactions energy: -149.276
where: short stacking energy: -65.408
Base-Backbone interact. energy: -0.441
local terms energy: -82.690987
where:
bonds (distance) C4'-P energy: -20.960
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -13.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -195.367270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.367270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.367270 (E_RNA)
where:
Base-Base interactions energy: -130.997
where: short stacking energy: -59.951
Base-Backbone interact. energy: 7.646
local terms energy: -72.016468
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -118.812632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.812632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.812632 (E_RNA)
where:
Base-Base interactions energy: -47.137
where: short stacking energy: -42.368
Base-Backbone interact. energy: 0.867
local terms energy: -72.541743
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -369.102892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.102892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.102892 (E_RNA)
where:
Base-Base interactions energy: -248.681
where: short stacking energy: -112.972
Base-Backbone interact. energy: -0.800
local terms energy: -119.621877
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -34.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -352.897304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.897304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.897304 (E_RNA)
where:
Base-Base interactions energy: -238.461
where: short stacking energy: -111.598
Base-Backbone interact. energy: -0.136
local terms energy: -114.300375
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -27.566
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -314.194102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.194102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.194102 (E_RNA)
where:
Base-Base interactions energy: -203.577
where: short stacking energy: -88.147
Base-Backbone interact. energy: 2.250
local terms energy: -112.866505
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -25.793
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: 1
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -287.274436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.274436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.274436 (E_RNA)
where:
Base-Base interactions energy: -182.743
where: short stacking energy: -92.970
Base-Backbone interact. energy: -0.297
local terms energy: -104.234356
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -24.513
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -26.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -277.618954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.618954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.618954 (E_RNA)
where:
Base-Base interactions energy: -189.877
where: short stacking energy: -90.094
Base-Backbone interact. energy: -0.246
local terms energy: -87.496030
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -257.131196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.131196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.131196 (E_RNA)
where:
Base-Base interactions energy: -160.630
where: short stacking energy: -69.305
Base-Backbone interact. energy: -0.444
local terms energy: -96.057262
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -19.988
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: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -239.984061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.984061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.984061 (E_RNA)
where:
Base-Base interactions energy: -160.314
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.241
local terms energy: -79.429722
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -10.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -196.071737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.071737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.071737 (E_RNA)
where:
Base-Base interactions energy: -107.574
where: short stacking energy: -52.083
Base-Backbone interact. energy: -0.092
local terms energy: -88.405239
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -223.843064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.843064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.843064 (E_RNA)
where:
Base-Base interactions energy: -142.292
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.781
local terms energy: -80.770105
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -156.209582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.209582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.209582 (E_RNA)
where:
Base-Base interactions energy: -83.911
where: short stacking energy: -49.312
Base-Backbone interact. energy: -0.244
local terms energy: -72.054877
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -7.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -377.403110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.403110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.403110 (E_RNA)
where:
Base-Base interactions energy: -255.464
where: short stacking energy: -113.091
Base-Backbone interact. energy: 0.755
local terms energy: -122.694573
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -19.692
tors. eta vs tors. theta energy: -32.915
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: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -335.945484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.945484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.945484 (E_RNA)
where:
Base-Base interactions energy: -224.791
where: short stacking energy: -97.400
Base-Backbone interact. energy: -0.155
local terms energy: -110.998839
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -24.238
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -24.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -303.273737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.273737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.273737 (E_RNA)
where:
Base-Base interactions energy: -195.035
where: short stacking energy: -94.037
Base-Backbone interact. energy: 0.237
local terms energy: -108.475074
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -25.836
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -24.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -287.069808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.069808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.069808 (E_RNA)
where:
Base-Base interactions energy: -193.226
where: short stacking energy: -94.812
Base-Backbone interact. energy: 0.771
local terms energy: -94.615036
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -22.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -272.594012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.594012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.594012 (E_RNA)
where:
Base-Base interactions energy: -172.483
where: short stacking energy: -73.327
Base-Backbone interact. energy: -0.256
local terms energy: -99.854836
where:
bonds (distance) C4'-P energy: -21.132
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -266.392289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.392289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.392289 (E_RNA)
where:
Base-Base interactions energy: -169.211
where: short stacking energy: -76.387
Base-Backbone interact. energy: -0.128
local terms energy: -97.053700
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -247.685022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.685022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.685022 (E_RNA)
where:
Base-Base interactions energy: -156.640
where: short stacking energy: -69.609
Base-Backbone interact. energy: -0.493
local terms energy: -90.551857
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -202.266562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.266562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.266562 (E_RNA)
where:
Base-Base interactions energy: -117.712
where: short stacking energy: -50.416
Base-Backbone interact. energy: -0.040
local terms energy: -84.514168
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -10.820
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: 9, replica: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -161.997618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.997618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.997618 (E_RNA)
where:
Base-Base interactions energy: -89.644
where: short stacking energy: -44.536
Base-Backbone interact. energy: -0.048
local terms energy: -72.305455
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -202.587665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.587665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.587665 (E_RNA)
where:
Base-Base interactions energy: -127.457
where: short stacking energy: -46.870
Base-Backbone interact. energy: -0.314
local terms energy: -74.816266
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -370.534329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.534329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.534329 (E_RNA)
where:
Base-Base interactions energy: -249.318
where: short stacking energy: -104.115
Base-Backbone interact. energy: -0.101
local terms energy: -121.115212
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -28.175
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -34.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -327.508961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.508961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.508961 (E_RNA)
where:
Base-Base interactions energy: -225.283
where: short stacking energy: -100.166
Base-Backbone interact. energy: 0.105
local terms energy: -102.330321
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -24.252
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -24.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -293.837818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.837818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.837818 (E_RNA)
where:
Base-Base interactions energy: -185.018
where: short stacking energy: -83.939
Base-Backbone interact. energy: 0.322
local terms energy: -109.141125
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -24.459
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -22.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -309.594523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.594523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.594523 (E_RNA)
where:
Base-Base interactions energy: -208.131
where: short stacking energy: -90.316
Base-Backbone interact. energy: -0.412
local terms energy: -101.051779
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -26.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -283.369337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.369337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.369337 (E_RNA)
where:
Base-Base interactions energy: -173.985
where: short stacking energy: -94.028
Base-Backbone interact. energy: -0.107
local terms energy: -109.277398
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -24.483
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -29.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -268.019145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.019145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.019145 (E_RNA)
where:
Base-Base interactions energy: -175.837
where: short stacking energy: -63.599
Base-Backbone interact. energy: -1.408
local terms energy: -90.773623
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -254.925634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.925634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.925634 (E_RNA)
where:
Base-Base interactions energy: -162.702
where: short stacking energy: -82.630
Base-Backbone interact. energy: 0.330
local terms energy: -92.553051
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -139.608962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.608962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.608962 (E_RNA)
where:
Base-Base interactions energy: -61.428
where: short stacking energy: -46.835
Base-Backbone interact. energy: 0.096
local terms energy: -78.276369
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -6.941
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: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -206.789661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.789661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.789661 (E_RNA)
where:
Base-Base interactions energy: -120.636
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.886
local terms energy: -85.267660
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -205.236558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.236558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.236558 (E_RNA)
where:
Base-Base interactions energy: -117.075
where: short stacking energy: -46.318
Base-Backbone interact. energy: 2.411
local terms energy: -90.572410
where:
bonds (distance) C4'-P energy: -25.135
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -371.627800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.627800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.627800 (E_RNA)
where:
Base-Base interactions energy: -250.705
where: short stacking energy: -108.246
Base-Backbone interact. energy: -0.011
local terms energy: -120.911936
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -25.216
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -35.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -341.330304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.330304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.330304 (E_RNA)
where:
Base-Base interactions energy: -224.315
where: short stacking energy: -105.938
Base-Backbone interact. energy: -0.653
local terms energy: -116.362649
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -29.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -289.634169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.634169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.634169 (E_RNA)
where:
Base-Base interactions energy: -188.354
where: short stacking energy: -85.189
Base-Backbone interact. energy: -0.227
local terms energy: -101.053474
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -307.058551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.058551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.058551 (E_RNA)
where:
Base-Base interactions energy: -204.182
where: short stacking energy: -91.621
Base-Backbone interact. energy: 0.461
local terms energy: -103.336941
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -23.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -275.061705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.061705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.061705 (E_RNA)
where:
Base-Base interactions energy: -184.565
where: short stacking energy: -90.226
Base-Backbone interact. energy: -0.172
local terms energy: -90.325308
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -24.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -259.013643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.013643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.013643 (E_RNA)
where:
Base-Base interactions energy: -162.730
where: short stacking energy: -72.173
Base-Backbone interact. energy: -1.672
local terms energy: -94.611118
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -23.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -236.060732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.060732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.060732 (E_RNA)
where:
Base-Base interactions energy: -156.101
where: short stacking energy: -70.199
Base-Backbone interact. energy: -0.290
local terms energy: -79.670122
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -120.682706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.682706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.682706 (E_RNA)
where:
Base-Base interactions energy: -54.887
where: short stacking energy: -32.367
Base-Backbone interact. energy: -0.097
local terms energy: -65.698899
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -221.550389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.550389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.550389 (E_RNA)
where:
Base-Base interactions energy: -132.269
where: short stacking energy: -64.359
Base-Backbone interact. energy: 0.058
local terms energy: -89.339212
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -20.726
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -197.589634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.589634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.589634 (E_RNA)
where:
Base-Base interactions energy: -129.187
where: short stacking energy: -62.732
Base-Backbone interact. energy: -0.499
local terms energy: -67.903193
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -370.531177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.531177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.531177 (E_RNA)
where:
Base-Base interactions energy: -254.548
where: short stacking energy: -110.791
Base-Backbone interact. energy: 0.283
local terms energy: -116.265572
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -32.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -339.234187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.234187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.234187 (E_RNA)
where:
Base-Base interactions energy: -235.538
where: short stacking energy: -109.323
Base-Backbone interact. energy: -0.371
local terms energy: -103.324554
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -26.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -300.328767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.328767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.328767 (E_RNA)
where:
Base-Base interactions energy: -192.627
where: short stacking energy: -104.095
Base-Backbone interact. energy: 0.479
local terms energy: -108.181404
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -19.961
tors. eta vs tors. theta energy: -26.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -277.872026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.872026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.872026 (E_RNA)
where:
Base-Base interactions energy: -171.769
where: short stacking energy: -80.871
Base-Backbone interact. energy: -0.104
local terms energy: -105.999011
where:
bonds (distance) C4'-P energy: -26.991
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -24.088
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: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -275.230655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.230655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.230655 (E_RNA)
where:
Base-Base interactions energy: -186.069
where: short stacking energy: -81.625
Base-Backbone interact. energy: -2.259
local terms energy: -86.902273
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -17.951
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -216.333749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.333749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.333749 (E_RNA)
where:
Base-Base interactions energy: -124.665
where: short stacking energy: -58.227
Base-Backbone interact. energy: -0.300
local terms energy: -91.368866
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -19.347
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -261.165661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.165661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.165661 (E_RNA)
where:
Base-Base interactions energy: -171.129
where: short stacking energy: -72.950
Base-Backbone interact. energy: -0.191
local terms energy: -89.845473
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -18.267
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -252.027671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.027671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.027671 (E_RNA)
where:
Base-Base interactions energy: -158.555
where: short stacking energy: -74.470
Base-Backbone interact. energy: -0.162
local terms energy: -93.311027
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -119.112474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.112474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.112474 (E_RNA)
where:
Base-Base interactions energy: -39.400
where: short stacking energy: -36.983
Base-Backbone interact. energy: -0.416
local terms energy: -79.296933
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -185.125659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.125659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.125659 (E_RNA)
where:
Base-Base interactions energy: -102.086
where: short stacking energy: -47.231
Base-Backbone interact. energy: -0.673
local terms energy: -82.366352
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -371.364073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.364073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.364073 (E_RNA)
where:
Base-Base interactions energy: -246.479
where: short stacking energy: -106.166
Base-Backbone interact. energy: -0.305
local terms energy: -124.580068
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -20.716
tors. eta vs tors. theta energy: -35.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -335.432882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.432882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.432882 (E_RNA)
where:
Base-Base interactions energy: -222.071
where: short stacking energy: -93.866
Base-Backbone interact. energy: -0.803
local terms energy: -112.558936
where:
bonds (distance) C4'-P energy: -25.344
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -27.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -282.990548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.990548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.990548 (E_RNA)
where:
Base-Base interactions energy: -177.919
where: short stacking energy: -97.538
Base-Backbone interact. energy: 0.036
local terms energy: -105.108086
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -26.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -303.476170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.476170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.476170 (E_RNA)
where:
Base-Base interactions energy: -196.466
where: short stacking energy: -99.204
Base-Backbone interact. energy: -0.022
local terms energy: -106.988000
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -22.726
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -24.815
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: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -277.375602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.375602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.375602 (E_RNA)
where:
Base-Base interactions energy: -189.301
where: short stacking energy: -77.978
Base-Backbone interact. energy: 0.803
local terms energy: -88.877438
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -243.721439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.721439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.721439 (E_RNA)
where:
Base-Base interactions energy: -158.276
where: short stacking energy: -69.409
Base-Backbone interact. energy: -0.341
local terms energy: -85.104555
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -218.718563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.718563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.718563 (E_RNA)
where:
Base-Base interactions energy: -124.849
where: short stacking energy: -68.308
Base-Backbone interact. energy: -1.007
local terms energy: -92.862828
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -250.366275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.366275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.366275 (E_RNA)
where:
Base-Base interactions energy: -149.945
where: short stacking energy: -66.940
Base-Backbone interact. energy: 0.048
local terms energy: -100.469374
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -215.119369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.119369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.119369 (E_RNA)
where:
Base-Base interactions energy: -124.195
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.195
local terms energy: -90.730115
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -120.145422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.145422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.145422 (E_RNA)
where:
Base-Base interactions energy: -41.551
where: short stacking energy: -41.530
Base-Backbone interact. energy: 0.098
local terms energy: -78.692105
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -367.770777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.770777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.770777 (E_RNA)
where:
Base-Base interactions energy: -244.210
where: short stacking energy: -104.936
Base-Backbone interact. energy: -0.003
local terms energy: -123.557079
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -34.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -331.862117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.862117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.862117 (E_RNA)
where:
Base-Base interactions energy: -222.806
where: short stacking energy: -92.941
Base-Backbone interact. energy: -0.956
local terms energy: -108.099989
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -26.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -285.870745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.870745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.870745 (E_RNA)
where:
Base-Base interactions energy: -187.824
where: short stacking energy: -83.916
Base-Backbone interact. energy: -1.077
local terms energy: -96.969537
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -294.356695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.356695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.356695 (E_RNA)
where:
Base-Base interactions energy: -202.373
where: short stacking energy: -80.923
Base-Backbone interact. energy: -0.347
local terms energy: -91.636793
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -260.134218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.134218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.134218 (E_RNA)
where:
Base-Base interactions energy: -169.884
where: short stacking energy: -81.761
Base-Backbone interact. energy: -0.299
local terms energy: -89.950579
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -236.459138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.459138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.459138 (E_RNA)
where:
Base-Base interactions energy: -155.881
where: short stacking energy: -71.114
Base-Backbone interact. energy: -0.170
local terms energy: -80.408721
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -248.718228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.718228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.718228 (E_RNA)
where:
Base-Base interactions energy: -159.923
where: short stacking energy: -75.178
Base-Backbone interact. energy: -0.164
local terms energy: -88.631223
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -209.528017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.528017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.528017 (E_RNA)
where:
Base-Base interactions energy: -118.493
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.462
local terms energy: -90.572513
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -9.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -241.984395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.984395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.984395 (E_RNA)
where:
Base-Base interactions energy: -160.270
where: short stacking energy: -63.796
Base-Backbone interact. energy: -1.138
local terms energy: -80.576696
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -108.035079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.035079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.035079 (E_RNA)
where:
Base-Base interactions energy: -32.894
where: short stacking energy: -23.872
Base-Backbone interact. energy: 0.404
local terms energy: -75.544548
where:
bonds (distance) C4'-P energy: -25.946
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -376.985624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.985624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.985624 (E_RNA)
where:
Base-Base interactions energy: -254.462
where: short stacking energy: -112.879
Base-Backbone interact. energy: -0.061
local terms energy: -122.462320
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -25.265
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -33.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -325.861783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.861783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.861783 (E_RNA)
where:
Base-Base interactions energy: -221.413
where: short stacking energy: -83.744
Base-Backbone interact. energy: -0.968
local terms energy: -103.481287
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -26.705
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -303.681283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.681283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.681283 (E_RNA)
where:
Base-Base interactions energy: -195.927
where: short stacking energy: -85.034
Base-Backbone interact. energy: -0.472
local terms energy: -107.282842
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -21.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -288.082844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.082844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.082844 (E_RNA)
where:
Base-Base interactions energy: -192.584
where: short stacking energy: -88.303
Base-Backbone interact. energy: 2.323
local terms energy: -97.822412
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -16.130
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: 5, replica: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -275.865167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.865167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.865167 (E_RNA)
where:
Base-Base interactions energy: -176.849
where: short stacking energy: -84.512
Base-Backbone interact. energy: -1.207
local terms energy: -97.809148
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -19.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -261.747160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.747160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.747160 (E_RNA)
where:
Base-Base interactions energy: -163.594
where: short stacking energy: -77.636
Base-Backbone interact. energy: -0.107
local terms energy: -98.045998
where:
bonds (distance) C4'-P energy: -23.419
bonds (distance) P-C4' energy: -19.920
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -20.876
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: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -247.992625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.992625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.992625 (E_RNA)
where:
Base-Base interactions energy: -159.017
where: short stacking energy: -76.168
Base-Backbone interact. energy: -0.613
local terms energy: -88.362841
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -209.503969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.503969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.503969 (E_RNA)
where:
Base-Base interactions energy: -128.902
where: short stacking energy: -55.381
Base-Backbone interact. energy: -1.054
local terms energy: -79.547472
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -229.553561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.553561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.553561 (E_RNA)
where:
Base-Base interactions energy: -144.264
where: short stacking energy: -69.601
Base-Backbone interact. energy: -0.547
local terms energy: -84.742376
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -12.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -106.177506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.177506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.177506 (E_RNA)
where:
Base-Base interactions energy: -20.961
where: short stacking energy: -20.961
Base-Backbone interact. energy: -0.337
local terms energy: -84.879306
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -373.777084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.777084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.777084 (E_RNA)
where:
Base-Base interactions energy: -249.875
where: short stacking energy: -110.330
Base-Backbone interact. energy: -0.001
local terms energy: -123.900632
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -32.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -310.879749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.879749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.879749 (E_RNA)
where:
Base-Base interactions energy: -205.032
where: short stacking energy: -85.388
Base-Backbone interact. energy: -0.073
local terms energy: -105.774730
where:
bonds (distance) C4'-P energy: -26.895
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -22.555
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -324.442583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.442583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.442583 (E_RNA)
where:
Base-Base interactions energy: -212.559
where: short stacking energy: -91.649
Base-Backbone interact. energy: -0.231
local terms energy: -111.652340
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -273.262254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.262254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.262254 (E_RNA)
where:
Base-Base interactions energy: -169.145
where: short stacking energy: -81.657
Base-Backbone interact. energy: -0.111
local terms energy: -104.006401
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -23.105
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -283.887934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.887934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.887934 (E_RNA)
where:
Base-Base interactions energy: -181.839
where: short stacking energy: -75.497
Base-Backbone interact. energy: -0.830
local terms energy: -101.218349
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -274.090396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.090396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.090396 (E_RNA)
where:
Base-Base interactions energy: -180.123
where: short stacking energy: -70.703
Base-Backbone interact. energy: -0.243
local terms energy: -93.724443
where:
bonds (distance) C4'-P energy: -24.081
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -269.632627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.632627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.632627 (E_RNA)
where:
Base-Base interactions energy: -169.473
where: short stacking energy: -78.465
Base-Backbone interact. energy: -0.372
local terms energy: -99.787242
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -238.834646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.834646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.834646 (E_RNA)
where:
Base-Base interactions energy: -151.333
where: short stacking energy: -73.102
Base-Backbone interact. energy: -0.041
local terms energy: -87.460301
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -21.054
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -186.326408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.326408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.326408 (E_RNA)
where:
Base-Base interactions energy: -99.457
where: short stacking energy: -43.008
Base-Backbone interact. energy: -0.162
local terms energy: -86.707015
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -110.289154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.289154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.289154 (E_RNA)
where:
Base-Base interactions energy: -46.110
where: short stacking energy: -46.045
Base-Backbone interact. energy: 0.273
local terms energy: -64.452042
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -363.886262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.886262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.886262 (E_RNA)
where:
Base-Base interactions energy: -240.298
where: short stacking energy: -109.174
Base-Backbone interact. energy: -0.010
local terms energy: -123.578538
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -28.291
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -33.764
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: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -297.086023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.086023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.086023 (E_RNA)
where:
Base-Base interactions energy: -194.129
where: short stacking energy: -101.967
Base-Backbone interact. energy: -0.309
local terms energy: -102.648545
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -24.371
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: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -276.583648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.583648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.583648 (E_RNA)
where:
Base-Base interactions energy: -168.432
where: short stacking energy: -80.701
Base-Backbone interact. energy: -0.234
local terms energy: -107.917216
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -22.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -307.765830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.765830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.765830 (E_RNA)
where:
Base-Base interactions energy: -199.621
where: short stacking energy: -88.489
Base-Backbone interact. energy: -0.254
local terms energy: -107.890723
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -22.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -274.123287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.123287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.123287 (E_RNA)
where:
Base-Base interactions energy: -173.671
where: short stacking energy: -85.539
Base-Backbone interact. energy: -0.501
local terms energy: -99.951926
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -24.224
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -249.992393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.992393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.992393 (E_RNA)
where:
Base-Base interactions energy: -155.652
where: short stacking energy: -68.403
Base-Backbone interact. energy: 2.340
local terms energy: -96.679749
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -251.863069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.863069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.863069 (E_RNA)
where:
Base-Base interactions energy: -151.883
where: short stacking energy: -68.570
Base-Backbone interact. energy: -0.219
local terms energy: -99.760213
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -21.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -229.344439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.344439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.344439 (E_RNA)
where:
Base-Base interactions energy: -150.801
where: short stacking energy: -69.861
Base-Backbone interact. energy: -0.270
local terms energy: -78.273958
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -21.925
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -185.350823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.350823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.350823 (E_RNA)
where:
Base-Base interactions energy: -116.866
where: short stacking energy: -63.752
Base-Backbone interact. energy: -0.151
local terms energy: -68.333751
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -4.344
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -109.827573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.827573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.827573 (E_RNA)
where:
Base-Base interactions energy: -34.990
where: short stacking energy: -34.140
Base-Backbone interact. energy: -0.165
local terms energy: -74.673292
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -378.373141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.373141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.373141 (E_RNA)
where:
Base-Base interactions energy: -259.124
where: short stacking energy: -111.244
Base-Backbone interact. energy: -0.191
local terms energy: -119.057521
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -26.496
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -32.124
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: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -302.633853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.633853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.633853 (E_RNA)
where:
Base-Base interactions energy: -191.587
where: short stacking energy: -100.963
Base-Backbone interact. energy: -0.010
local terms energy: -111.036550
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -24.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -284.600858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.600858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.600858 (E_RNA)
where:
Base-Base interactions energy: -190.562
where: short stacking energy: -75.730
Base-Backbone interact. energy: -1.785
local terms energy: -92.253579
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -293.427015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.427015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.427015 (E_RNA)
where:
Base-Base interactions energy: -198.066
where: short stacking energy: -87.908
Base-Backbone interact. energy: -0.671
local terms energy: -94.690614
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -19.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -293.505344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.505344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.505344 (E_RNA)
where:
Base-Base interactions energy: -190.670
where: short stacking energy: -89.799
Base-Backbone interact. energy: -1.185
local terms energy: -101.650680
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -23.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -257.134481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.134481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.134481 (E_RNA)
where:
Base-Base interactions energy: -160.474
where: short stacking energy: -71.955
Base-Backbone interact. energy: -0.038
local terms energy: -96.623007
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -251.506400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.506400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.506400 (E_RNA)
where:
Base-Base interactions energy: -170.013
where: short stacking energy: -83.738
Base-Backbone interact. energy: 2.328
local terms energy: -83.821409
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -199.903600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.903600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.903600 (E_RNA)
where:
Base-Base interactions energy: -112.539
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.648
local terms energy: -86.717173
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -20.494
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -11.615
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: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -235.348655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.348655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.348655 (E_RNA)
where:
Base-Base interactions energy: -145.258
where: short stacking energy: -65.284
Base-Backbone interact. energy: -0.273
local terms energy: -89.817962
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -107.119207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.119207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.119207 (E_RNA)
where:
Base-Base interactions energy: -41.662
where: short stacking energy: -32.738
Base-Backbone interact. energy: -0.561
local terms energy: -64.896480
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: 0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -369.617121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.617121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.617121 (E_RNA)
where:
Base-Base interactions energy: -244.867
where: short stacking energy: -105.480
Base-Backbone interact. energy: -0.150
local terms energy: -124.600293
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -34.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -306.843833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.843833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.843833 (E_RNA)
where:
Base-Base interactions energy: -185.855
where: short stacking energy: -92.331
Base-Backbone interact. energy: -0.003
local terms energy: -120.985788
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -21.123
tors. eta vs tors. theta energy: -29.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -300.561008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.561008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.561008 (E_RNA)
where:
Base-Base interactions energy: -199.647
where: short stacking energy: -79.020
Base-Backbone interact. energy: -0.291
local terms energy: -100.622604
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -24.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -273.811385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.811385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.811385 (E_RNA)
where:
Base-Base interactions energy: -182.035
where: short stacking energy: -91.431
Base-Backbone interact. energy: -0.789
local terms energy: -90.987961
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -271.570270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.570270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.570270 (E_RNA)
where:
Base-Base interactions energy: -172.034
where: short stacking energy: -70.264
Base-Backbone interact. energy: -0.309
local terms energy: -99.227544
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -24.380
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -20.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -265.662161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.662161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.662161 (E_RNA)
where:
Base-Base interactions energy: -162.626
where: short stacking energy: -79.152
Base-Backbone interact. energy: 1.888
local terms energy: -104.924177
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -26.236
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -19.879
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: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -230.324908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.324908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.324908 (E_RNA)
where:
Base-Base interactions energy: -140.064
where: short stacking energy: -69.734
Base-Backbone interact. energy: -0.540
local terms energy: -89.721087
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -198.852895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.852895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.852895 (E_RNA)
where:
Base-Base interactions energy: -114.049
where: short stacking energy: -47.571
Base-Backbone interact. energy: 0.613
local terms energy: -85.417545
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -7.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -255.319850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.319850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.319850 (E_RNA)
where:
Base-Base interactions energy: -167.237
where: short stacking energy: -75.442
Base-Backbone interact. energy: -0.118
local terms energy: -87.965448
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -116.500049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.500049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.500049 (E_RNA)
where:
Base-Base interactions energy: -40.511
where: short stacking energy: -35.119
Base-Backbone interact. energy: 0.325
local terms energy: -76.313849
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: 3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -367.774167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.774167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.774167 (E_RNA)
where:
Base-Base interactions energy: -246.313
where: short stacking energy: -101.661
Base-Backbone interact. energy: -0.504
local terms energy: -120.957790
where:
bonds (distance) C4'-P energy: -21.681
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -35.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -310.752391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.752391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.752391 (E_RNA)
where:
Base-Base interactions energy: -200.964
where: short stacking energy: -105.968
Base-Backbone interact. energy: -0.057
local terms energy: -109.732142
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -27.898
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: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -281.806751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.806751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.806751 (E_RNA)
where:
Base-Base interactions energy: -180.882
where: short stacking energy: -88.238
Base-Backbone interact. energy: 1.788
local terms energy: -102.712997
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -22.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -285.727754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.727754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.727754 (E_RNA)
where:
Base-Base interactions energy: -185.105
where: short stacking energy: -85.706
Base-Backbone interact. energy: -0.238
local terms energy: -100.385392
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -23.147
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -23.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -264.381158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.381158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.381158 (E_RNA)
where:
Base-Base interactions energy: -176.817
where: short stacking energy: -83.463
Base-Backbone interact. energy: 1.135
local terms energy: -88.699145
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -271.157830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.157830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.157830 (E_RNA)
where:
Base-Base interactions energy: -176.216
where: short stacking energy: -83.080
Base-Backbone interact. energy: -0.749
local terms energy: -94.193546
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -26.674
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -214.518553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.518553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.518553 (E_RNA)
where:
Base-Base interactions energy: -129.524
where: short stacking energy: -74.663
Base-Backbone interact. energy: -0.032
local terms energy: -84.962887
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -246.290766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.290766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.290766 (E_RNA)
where:
Base-Base interactions energy: -152.013
where: short stacking energy: -68.345
Base-Backbone interact. energy: -0.072
local terms energy: -94.206157
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -19.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -202.742553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.742553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.742553 (E_RNA)
where:
Base-Base interactions energy: -131.441
where: short stacking energy: -47.880
Base-Backbone interact. energy: -0.472
local terms energy: -70.829499
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -102.519731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.519731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.519731 (E_RNA)
where:
Base-Base interactions energy: -44.179
where: short stacking energy: -28.469
Base-Backbone interact. energy: -1.061
local terms energy: -57.279697
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -366.270967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.270967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.270967 (E_RNA)
where:
Base-Base interactions energy: -248.084
where: short stacking energy: -116.929
Base-Backbone interact. energy: 0.271
local terms energy: -118.457224
where:
bonds (distance) C4'-P energy: -26.225
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -24.241
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -33.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -313.080888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.080888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.080888 (E_RNA)
where:
Base-Base interactions energy: -203.638
where: short stacking energy: -98.119
Base-Backbone interact. energy: -1.409
local terms energy: -108.033241
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -28.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -288.632234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.632234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.632234 (E_RNA)
where:
Base-Base interactions energy: -186.205
where: short stacking energy: -91.513
Base-Backbone interact. energy: -0.165
local terms energy: -102.262510
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -22.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -265.336375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.336375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.336375 (E_RNA)
where:
Base-Base interactions energy: -171.386
where: short stacking energy: -73.558
Base-Backbone interact. energy: -0.264
local terms energy: -93.686483
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -277.847071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.847071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.847071 (E_RNA)
where:
Base-Base interactions energy: -168.591
where: short stacking energy: -84.442
Base-Backbone interact. energy: -0.206
local terms energy: -109.050722
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -24.071
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: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -266.265394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.265394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.265394 (E_RNA)
where:
Base-Base interactions energy: -167.110
where: short stacking energy: -86.134
Base-Backbone interact. energy: 0.040
local terms energy: -99.195101
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -241.680809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.680809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.680809 (E_RNA)
where:
Base-Base interactions energy: -146.517
where: short stacking energy: -70.302
Base-Backbone interact. energy: -0.412
local terms energy: -94.751522
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -21.760
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -204.308831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.308831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.308831 (E_RNA)
where:
Base-Base interactions energy: -134.922
where: short stacking energy: -56.580
Base-Backbone interact. energy: -0.801
local terms energy: -68.585856
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -248.438529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.438529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.438529 (E_RNA)
where:
Base-Base interactions energy: -160.397
where: short stacking energy: -70.819
Base-Backbone interact. energy: -0.259
local terms energy: -87.782700
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -18.529
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: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -111.491868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.491868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.491868 (E_RNA)
where:
Base-Base interactions energy: -45.668
where: short stacking energy: -30.388
Base-Backbone interact. energy: -0.199
local terms energy: -65.624982
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: 4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -369.945231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.945231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.945231 (E_RNA)
where:
Base-Base interactions energy: -245.871
where: short stacking energy: -99.304
Base-Backbone interact. energy: -0.019
local terms energy: -124.054757
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -25.827
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -33.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -310.237381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.237381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.237381 (E_RNA)
where:
Base-Base interactions energy: -197.341
where: short stacking energy: -101.084
Base-Backbone interact. energy: -0.167
local terms energy: -112.729145
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -20.050
tors. eta vs tors. theta energy: -28.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -309.413241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.413241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.413241 (E_RNA)
where:
Base-Base interactions energy: -194.104
where: short stacking energy: -95.505
Base-Backbone interact. energy: -0.254
local terms energy: -115.055212
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -27.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -279.515666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.515666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.515666 (E_RNA)
where:
Base-Base interactions energy: -179.220
where: short stacking energy: -86.161
Base-Backbone interact. energy: -0.778
local terms energy: -99.518167
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -277.190319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.190319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.190319 (E_RNA)
where:
Base-Base interactions energy: -184.405
where: short stacking energy: -83.126
Base-Backbone interact. energy: -0.183
local terms energy: -92.601653
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -22.449
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -262.947469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.947469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.947469 (E_RNA)
where:
Base-Base interactions energy: -168.195
where: short stacking energy: -81.150
Base-Backbone interact. energy: -0.448
local terms energy: -94.304616
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -260.091235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.091235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.091235 (E_RNA)
where:
Base-Base interactions energy: -180.253
where: short stacking energy: -72.371
Base-Backbone interact. energy: -0.380
local terms energy: -79.458081
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -237.045839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.045839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.045839 (E_RNA)
where:
Base-Base interactions energy: -146.669
where: short stacking energy: -63.630
Base-Backbone interact. energy: -0.136
local terms energy: -90.240491
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -27.396
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -241.229970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.229970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.229970 (E_RNA)
where:
Base-Base interactions energy: -155.820
where: short stacking energy: -72.245
Base-Backbone interact. energy: -0.266
local terms energy: -85.143250
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -117.080236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.080236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.080236 (E_RNA)
where:
Base-Base interactions energy: -43.562
where: short stacking energy: -31.021
Base-Backbone interact. energy: -0.425
local terms energy: -73.093505
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -373.195119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.195119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.195119 (E_RNA)
where:
Base-Base interactions energy: -256.751
where: short stacking energy: -116.708
Base-Backbone interact. energy: -0.467
local terms energy: -115.976565
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -19.184
tors. eta vs tors. theta energy: -34.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -298.294621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.294621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.294621 (E_RNA)
where:
Base-Base interactions energy: -198.901
where: short stacking energy: -96.995
Base-Backbone interact. energy: -0.331
local terms energy: -99.061968
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -24.665
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -307.238933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.238933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.238933 (E_RNA)
where:
Base-Base interactions energy: -203.065
where: short stacking energy: -78.744
Base-Backbone interact. energy: 0.211
local terms energy: -104.385551
where:
bonds (distance) C4'-P energy: -26.103
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -295.002482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.002482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.002482 (E_RNA)
where:
Base-Base interactions energy: -191.688
where: short stacking energy: -92.033
Base-Backbone interact. energy: -0.111
local terms energy: -103.202624
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -23.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -263.196033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.196033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.196033 (E_RNA)
where:
Base-Base interactions energy: -173.810
where: short stacking energy: -91.855
Base-Backbone interact. energy: -0.121
local terms energy: -89.265141
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -267.831535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.831535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.831535 (E_RNA)
where:
Base-Base interactions energy: -170.754
where: short stacking energy: -74.480
Base-Backbone interact. energy: -0.187
local terms energy: -96.890756
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -24.007
flat angles C4'-P-C4' energy: -25.896
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -259.723527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.723527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.723527 (E_RNA)
where:
Base-Base interactions energy: -166.370
where: short stacking energy: -86.705
Base-Backbone interact. energy: -0.010
local terms energy: -93.344075
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -246.011196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.011196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.011196 (E_RNA)
where:
Base-Base interactions energy: -156.005
where: short stacking energy: -69.982
Base-Backbone interact. energy: -0.173
local terms energy: -89.833061
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -230.876334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.876334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.876334 (E_RNA)
where:
Base-Base interactions energy: -145.973
where: short stacking energy: -65.479
Base-Backbone interact. energy: -0.323
local terms energy: -84.579732
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -102.020642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.020642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.020642 (E_RNA)
where:
Base-Base interactions energy: -36.958
where: short stacking energy: -30.423
Base-Backbone interact. energy: -0.416
local terms energy: -64.646652
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -2.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -372.503758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.503758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.503758 (E_RNA)
where:
Base-Base interactions energy: -246.131
where: short stacking energy: -104.718
Base-Backbone interact. energy: 0.404
local terms energy: -126.776943
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -28.763
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -33.166
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: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -325.343702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.343702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.343702 (E_RNA)
where:
Base-Base interactions energy: -217.084
where: short stacking energy: -95.701
Base-Backbone interact. energy: 2.522
local terms energy: -110.782141
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -29.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -285.389070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.389070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.389070 (E_RNA)
where:
Base-Base interactions energy: -178.416
where: short stacking energy: -95.299
Base-Backbone interact. energy: -0.057
local terms energy: -106.915456
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -24.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -291.698775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.698775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.698775 (E_RNA)
where:
Base-Base interactions energy: -200.180
where: short stacking energy: -90.445
Base-Backbone interact. energy: -0.035
local terms energy: -91.483784
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -272.888990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.888990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.888990 (E_RNA)
where:
Base-Base interactions energy: -169.164
where: short stacking energy: -91.761
Base-Backbone interact. energy: -0.011
local terms energy: -103.714643
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -17.816
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -264.308300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.308300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.308300 (E_RNA)
where:
Base-Base interactions energy: -168.843
where: short stacking energy: -87.315
Base-Backbone interact. energy: -0.438
local terms energy: -95.027964
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -273.979223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.979223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.979223 (E_RNA)
where:
Base-Base interactions energy: -179.309
where: short stacking energy: -72.384
Base-Backbone interact. energy: 0.550
local terms energy: -95.220544
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -23.754
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -242.670240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.670240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.670240 (E_RNA)
where:
Base-Base interactions energy: -156.691
where: short stacking energy: -69.753
Base-Backbone interact. energy: -0.850
local terms energy: -85.129058
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -11.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -250.502561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.502561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.502561 (E_RNA)
where:
Base-Base interactions energy: -164.015
where: short stacking energy: -78.320
Base-Backbone interact. energy: -0.037
local terms energy: -86.450453
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -103.617067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.617067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.617067 (E_RNA)
where:
Base-Base interactions energy: -43.601
where: short stacking energy: -27.706
Base-Backbone interact. energy: -0.707
local terms energy: -59.308320
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: 3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -369.247122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.247122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.247122 (E_RNA)
where:
Base-Base interactions energy: -245.460
where: short stacking energy: -116.706
Base-Backbone interact. energy: -0.051
local terms energy: -123.736656
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -24.761
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: -34.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -320.006269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.006269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.006269 (E_RNA)
where:
Base-Base interactions energy: -208.401
where: short stacking energy: -85.731
Base-Backbone interact. energy: -0.230
local terms energy: -111.375204
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -29.186
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: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -304.733775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.733775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.733775 (E_RNA)
where:
Base-Base interactions energy: -192.132
where: short stacking energy: -101.951
Base-Backbone interact. energy: -0.265
local terms energy: -112.336604
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -31.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -298.844259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.844259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.844259 (E_RNA)
where:
Base-Base interactions energy: -194.010
where: short stacking energy: -97.200
Base-Backbone interact. energy: -0.059
local terms energy: -104.774445
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -31.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -291.567940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.567940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.567940 (E_RNA)
where:
Base-Base interactions energy: -187.834
where: short stacking energy: -97.217
Base-Backbone interact. energy: -1.015
local terms energy: -102.718779
where:
bonds (distance) C4'-P energy: -26.226
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -278.104036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.104036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.104036 (E_RNA)
where:
Base-Base interactions energy: -188.497
where: short stacking energy: -87.401
Base-Backbone interact. energy: -0.398
local terms energy: -89.208696
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -20.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -264.840098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.840098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.840098 (E_RNA)
where:
Base-Base interactions energy: -174.006
where: short stacking energy: -83.786
Base-Backbone interact. energy: -0.222
local terms energy: -90.611686
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -269.423317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.423317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.423317 (E_RNA)
where:
Base-Base interactions energy: -164.975
where: short stacking energy: -79.231
Base-Backbone interact. energy: -0.121
local terms energy: -104.327482
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -236.864112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.864112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.864112 (E_RNA)
where:
Base-Base interactions energy: -154.744
where: short stacking energy: -68.787
Base-Backbone interact. energy: -0.592
local terms energy: -81.527945
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -10.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -116.479448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.479448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.479448 (E_RNA)
where:
Base-Base interactions energy: -42.569
where: short stacking energy: -31.369
Base-Backbone interact. energy: 1.077
local terms energy: -74.987963
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -369.137584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.137584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.137584 (E_RNA)
where:
Base-Base interactions energy: -250.427
where: short stacking energy: -106.822
Base-Backbone interact. energy: -0.102
local terms energy: -118.609104
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -33.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -309.235253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.235253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.235253 (E_RNA)
where:
Base-Base interactions energy: -190.443
where: short stacking energy: -100.416
Base-Backbone interact. energy: -0.513
local terms energy: -118.279227
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -25.257
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -31.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -329.534842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.534842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.534842 (E_RNA)
where:
Base-Base interactions energy: -224.389
where: short stacking energy: -84.495
Base-Backbone interact. energy: -3.068
local terms energy: -102.078155
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -283.016587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.016587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.016587 (E_RNA)
where:
Base-Base interactions energy: -187.971
where: short stacking energy: -90.520
Base-Backbone interact. energy: -0.194
local terms energy: -94.851906
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -24.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -282.968198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.968198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.968198 (E_RNA)
where:
Base-Base interactions energy: -186.167
where: short stacking energy: -100.201
Base-Backbone interact. energy: -0.073
local terms energy: -96.728057
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -25.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -287.466751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.466751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.466751 (E_RNA)
where:
Base-Base interactions energy: -195.455
where: short stacking energy: -87.561
Base-Backbone interact. energy: -0.212
local terms energy: -91.798984
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -23.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -253.280573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.280573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.280573 (E_RNA)
where:
Base-Base interactions energy: -161.730
where: short stacking energy: -65.806
Base-Backbone interact. energy: 0.049
local terms energy: -91.599129
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -239.885019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.885019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.885019 (E_RNA)
where:
Base-Base interactions energy: -157.312
where: short stacking energy: -66.045
Base-Backbone interact. energy: -0.417
local terms energy: -82.155499
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -23.881
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -248.100748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.100748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.100748 (E_RNA)
where:
Base-Base interactions energy: -165.538
where: short stacking energy: -71.695
Base-Backbone interact. energy: 0.385
local terms energy: -82.947431
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -13.612
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: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -119.331864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.331864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.331864 (E_RNA)
where:
Base-Base interactions energy: -52.071
where: short stacking energy: -49.246
Base-Backbone interact. energy: -0.554
local terms energy: -66.706939
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -6.589
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: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -375.739575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.739575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.739575 (E_RNA)
where:
Base-Base interactions energy: -253.715
where: short stacking energy: -109.443
Base-Backbone interact. energy: -0.042
local terms energy: -121.982588
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -26.525
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -34.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -309.912741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.912741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.912741 (E_RNA)
where:
Base-Base interactions energy: -200.833
where: short stacking energy: -98.923
Base-Backbone interact. energy: -0.113
local terms energy: -108.966637
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -27.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -354.128019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.128019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.128019 (E_RNA)
where:
Base-Base interactions energy: -246.414
where: short stacking energy: -80.678
Base-Backbone interact. energy: -1.350
local terms energy: -106.363693
where:
bonds (distance) C4'-P energy: -25.309
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -25.552
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -291.557531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.557531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.557531 (E_RNA)
where:
Base-Base interactions energy: -188.632
where: short stacking energy: -87.701
Base-Backbone interact. energy: -0.237
local terms energy: -102.688083
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -24.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -299.507656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.507656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.507656 (E_RNA)
where:
Base-Base interactions energy: -200.473
where: short stacking energy: -84.054
Base-Backbone interact. energy: -0.337
local terms energy: -98.697942
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -23.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -274.220560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.220560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.220560 (E_RNA)
where:
Base-Base interactions energy: -174.294
where: short stacking energy: -85.298
Base-Backbone interact. energy: -1.639
local terms energy: -98.287570
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -22.496
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: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -248.119382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.119382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.119382 (E_RNA)
where:
Base-Base interactions energy: -151.567
where: short stacking energy: -72.801
Base-Backbone interact. energy: -0.157
local terms energy: -96.395115
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -228.367483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.367483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.367483 (E_RNA)
where:
Base-Base interactions energy: -153.751
where: short stacking energy: -66.123
Base-Backbone interact. energy: -0.170
local terms energy: -74.446242
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -241.887529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.887529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.887529 (E_RNA)
where:
Base-Base interactions energy: -157.105
where: short stacking energy: -74.144
Base-Backbone interact. energy: -0.132
local terms energy: -84.651045
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -15.986
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: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -108.694868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.694868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.694868 (E_RNA)
where:
Base-Base interactions energy: -45.310
where: short stacking energy: -38.301
Base-Backbone interact. energy: 0.420
local terms energy: -63.804573
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -24.715
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -4.002
tors. eta vs tors. theta energy: -5.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -373.155210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.155210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.155210 (E_RNA)
where:
Base-Base interactions energy: -256.178
where: short stacking energy: -110.235
Base-Backbone interact. energy: -0.866
local terms energy: -116.111453
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -31.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -355.628590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.628590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.628590 (E_RNA)
where:
Base-Base interactions energy: -248.799
where: short stacking energy: -86.327
Base-Backbone interact. energy: -1.627
local terms energy: -105.202447
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -17.194
tors. eta vs tors. theta energy: -22.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -312.643423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.643423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.643423 (E_RNA)
where:
Base-Base interactions energy: -199.602
where: short stacking energy: -90.069
Base-Backbone interact. energy: -0.105
local terms energy: -112.936318
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -27.309
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -294.808565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.808565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.808565 (E_RNA)
where:
Base-Base interactions energy: -187.777
where: short stacking energy: -92.127
Base-Backbone interact. energy: -0.200
local terms energy: -106.831494
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -25.864
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: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -280.355021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.355021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.355021 (E_RNA)
where:
Base-Base interactions energy: -171.112
where: short stacking energy: -91.518
Base-Backbone interact. energy: -0.455
local terms energy: -108.787825
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -26.238
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -23.421
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: 6, replica: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -270.173479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.173479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.173479 (E_RNA)
where:
Base-Base interactions energy: -178.328
where: short stacking energy: -81.024
Base-Backbone interact. energy: -0.393
local terms energy: -91.452320
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -22.478
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -268.854307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.854307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.854307 (E_RNA)
where:
Base-Base interactions energy: -172.083
where: short stacking energy: -79.935
Base-Backbone interact. energy: -0.472
local terms energy: -96.300121
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -23.835
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: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -254.610740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.610740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.610740 (E_RNA)
where:
Base-Base interactions energy: -165.157
where: short stacking energy: -69.059
Base-Backbone interact. energy: -0.264
local terms energy: -89.189392
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -247.870242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.870242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.870242 (E_RNA)
where:
Base-Base interactions energy: -161.785
where: short stacking energy: -71.165
Base-Backbone interact. energy: 0.768
local terms energy: -86.854039
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -25.486
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -10.967
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: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -115.364229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.364229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.364229 (E_RNA)
where:
Base-Base interactions energy: -45.217
where: short stacking energy: -40.571
Base-Backbone interact. energy: -0.172
local terms energy: -69.975987
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -361.046378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.046378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.046378 (E_RNA)
where:
Base-Base interactions energy: -251.848
where: short stacking energy: -87.690
Base-Backbone interact. energy: -1.493
local terms energy: -107.705023
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -25.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -362.937564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.937564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.937564 (E_RNA)
where:
Base-Base interactions energy: -247.551
where: short stacking energy: -108.719
Base-Backbone interact. energy: -0.007
local terms energy: -115.379233
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -34.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -307.249602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.249602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.249602 (E_RNA)
where:
Base-Base interactions energy: -194.041
where: short stacking energy: -82.757
Base-Backbone interact. energy: -0.759
local terms energy: -112.449392
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -26.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -287.422789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.422789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.422789 (E_RNA)
where:
Base-Base interactions energy: -183.272
where: short stacking energy: -76.956
Base-Backbone interact. energy: -0.398
local terms energy: -103.752999
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -25.870
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -275.254846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.254846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.254846 (E_RNA)
where:
Base-Base interactions energy: -180.522
where: short stacking energy: -87.896
Base-Backbone interact. energy: -0.290
local terms energy: -94.443401
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -266.042802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.042802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.042802 (E_RNA)
where:
Base-Base interactions energy: -163.589
where: short stacking energy: -76.029
Base-Backbone interact. energy: -0.204
local terms energy: -102.249976
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -18.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -260.517058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.517058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.517058 (E_RNA)
where:
Base-Base interactions energy: -160.591
where: short stacking energy: -76.150
Base-Backbone interact. energy: -0.139
local terms energy: -99.786478
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -265.647369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.647369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.647369 (E_RNA)
where:
Base-Base interactions energy: -171.072
where: short stacking energy: -95.012
Base-Backbone interact. energy: -0.466
local terms energy: -94.110129
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -22.487
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -27.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -226.470824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.470824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.470824 (E_RNA)
where:
Base-Base interactions energy: -142.340
where: short stacking energy: -63.169
Base-Backbone interact. energy: -0.307
local terms energy: -83.822915
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -25.794
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -115.670759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.670759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.670759 (E_RNA)
where:
Base-Base interactions energy: -50.617
where: short stacking energy: -40.855
Base-Backbone interact. energy: -0.178
local terms energy: -64.874968
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -363.136444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.136444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.136444 (E_RNA)
where:
Base-Base interactions energy: -247.043
where: short stacking energy: -97.391
Base-Backbone interact. energy: -2.384
local terms energy: -113.709040
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -24.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -365.985725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.985725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.985725 (E_RNA)
where:
Base-Base interactions energy: -241.544
where: short stacking energy: -106.482
Base-Backbone interact. energy: -0.130
local terms energy: -124.312109
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -26.796
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -31.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -304.054639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.054639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.054639 (E_RNA)
where:
Base-Base interactions energy: -191.246
where: short stacking energy: -98.112
Base-Backbone interact. energy: -0.730
local terms energy: -112.078685
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -28.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -304.313478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.313478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.313478 (E_RNA)
where:
Base-Base interactions energy: -188.359
where: short stacking energy: -96.440
Base-Backbone interact. energy: -0.797
local terms energy: -115.157384
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -31.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -274.510342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.510342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.510342 (E_RNA)
where:
Base-Base interactions energy: -181.188
where: short stacking energy: -87.909
Base-Backbone interact. energy: 0.115
local terms energy: -93.436969
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -271.361912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.361912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.361912 (E_RNA)
where:
Base-Base interactions energy: -173.855
where: short stacking energy: -84.307
Base-Backbone interact. energy: -0.094
local terms energy: -97.412515
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -22.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -251.208898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.208898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.208898 (E_RNA)
where:
Base-Base interactions energy: -162.622
where: short stacking energy: -76.860
Base-Backbone interact. energy: -0.222
local terms energy: -88.364963
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -241.367067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.367067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.367067 (E_RNA)
where:
Base-Base interactions energy: -153.238
where: short stacking energy: -74.774
Base-Backbone interact. energy: -0.231
local terms energy: -87.898903
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -18.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -197.716060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.716060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.716060 (E_RNA)
where:
Base-Base interactions energy: -119.441
where: short stacking energy: -61.004
Base-Backbone interact. energy: -0.260
local terms energy: -78.015132
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -102.478955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.478955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.478955 (E_RNA)
where:
Base-Base interactions energy: -35.988
where: short stacking energy: -26.776
Base-Backbone interact. energy: -1.030
local terms energy: -65.460791
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: 1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -364.812015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.812015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.812015 (E_RNA)
where:
Base-Base interactions energy: -245.173
where: short stacking energy: -104.094
Base-Backbone interact. energy: -0.048
local terms energy: -119.591204
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -33.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -353.461106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.461106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.461106 (E_RNA)
where:
Base-Base interactions energy: -246.551
where: short stacking energy: -84.691
Base-Backbone interact. energy: -1.261
local terms energy: -105.649968
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -294.999407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.999407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.999407 (E_RNA)
where:
Base-Base interactions energy: -192.698
where: short stacking energy: -96.337
Base-Backbone interact. energy: -0.805
local terms energy: -101.495988
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -24.602
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -30.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -282.289775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.289775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.289775 (E_RNA)
where:
Base-Base interactions energy: -179.372
where: short stacking energy: -80.247
Base-Backbone interact. energy: 0.262
local terms energy: -103.179172
where:
bonds (distance) C4'-P energy: -23.454
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -280.880690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.880690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.880690 (E_RNA)
where:
Base-Base interactions energy: -169.396
where: short stacking energy: -77.202
Base-Backbone interact. energy: -0.863
local terms energy: -110.621798
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -269.787421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.787421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.787421 (E_RNA)
where:
Base-Base interactions energy: -178.164
where: short stacking energy: -76.591
Base-Backbone interact. energy: -0.582
local terms energy: -91.041445
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -237.730897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.730897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.730897 (E_RNA)
where:
Base-Base interactions energy: -154.526
where: short stacking energy: -72.714
Base-Backbone interact. energy: -0.364
local terms energy: -82.840794
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -249.869928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.869928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.869928 (E_RNA)
where:
Base-Base interactions energy: -167.075
where: short stacking energy: -80.760
Base-Backbone interact. energy: -1.121
local terms energy: -81.673535
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -191.128279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.128279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.128279 (E_RNA)
where:
Base-Base interactions energy: -127.612
where: short stacking energy: -55.973
Base-Backbone interact. energy: -0.628
local terms energy: -62.888472
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -120.813217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.813217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.813217 (E_RNA)
where:
Base-Base interactions energy: -44.267
where: short stacking energy: -43.728
Base-Backbone interact. energy: -0.375
local terms energy: -76.171070
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -372.194295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.194295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.194295 (E_RNA)
where:
Base-Base interactions energy: -250.888
where: short stacking energy: -112.093
Base-Backbone interact. energy: -0.055
local terms energy: -121.250925
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -24.970
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -33.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -348.493751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.493751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.493751 (E_RNA)
where:
Base-Base interactions energy: -233.975
where: short stacking energy: -88.406
Base-Backbone interact. energy: -1.987
local terms energy: -112.532158
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -27.224
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -23.344
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: 3, replica: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -282.004828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.004828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.004828 (E_RNA)
where:
Base-Base interactions energy: -173.774
where: short stacking energy: -83.709
Base-Backbone interact. energy: -0.160
local terms energy: -108.070779
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -303.663045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.663045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.663045 (E_RNA)
where:
Base-Base interactions energy: -212.055
where: short stacking energy: -95.131
Base-Backbone interact. energy: -0.167
local terms energy: -91.440938
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -24.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -290.791065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.791065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.791065 (E_RNA)
where:
Base-Base interactions energy: -182.306
where: short stacking energy: -78.291
Base-Backbone interact. energy: -0.662
local terms energy: -107.823137
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -25.967
flat angles C4'-P-C4' energy: -26.340
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -252.676396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.676396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.676396 (E_RNA)
where:
Base-Base interactions energy: -163.902
where: short stacking energy: -81.117
Base-Backbone interact. energy: -0.262
local terms energy: -88.511927
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -23.078
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -244.416990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.416990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.416990 (E_RNA)
where:
Base-Base interactions energy: -146.767
where: short stacking energy: -69.118
Base-Backbone interact. energy: 0.327
local terms energy: -97.976925
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -25.759
flat angles C4'-P-C4' energy: -23.283
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -258.522207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.522207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.522207 (E_RNA)
where:
Base-Base interactions energy: -167.763
where: short stacking energy: -63.533
Base-Backbone interact. energy: -0.331
local terms energy: -90.427695
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -202.708668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.708668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.708668 (E_RNA)
where:
Base-Base interactions energy: -122.428
where: short stacking energy: -53.212
Base-Backbone interact. energy: 0.505
local terms energy: -80.786037
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -117.213341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.213341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.213341 (E_RNA)
where:
Base-Base interactions energy: -35.757
where: short stacking energy: -34.859
Base-Backbone interact. energy: -0.246
local terms energy: -81.209832
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -371.369296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.369296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.369296 (E_RNA)
where:
Base-Base interactions energy: -258.870
where: short stacking energy: -112.977
Base-Backbone interact. energy: -0.071
local terms energy: -112.428367
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -31.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -344.930379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.930379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.930379 (E_RNA)
where:
Base-Base interactions energy: -233.903
where: short stacking energy: -92.364
Base-Backbone interact. energy: -2.667
local terms energy: -108.360862
where:
bonds (distance) C4'-P energy: -25.211
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -18.835
tors. eta vs tors. theta energy: -25.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -291.238014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.238014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.238014 (E_RNA)
where:
Base-Base interactions energy: -191.674
where: short stacking energy: -77.668
Base-Backbone interact. energy: -0.256
local terms energy: -99.307385
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -279.399999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.399999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.399999 (E_RNA)
where:
Base-Base interactions energy: -174.179
where: short stacking energy: -81.772
Base-Backbone interact. energy: -0.119
local terms energy: -105.102012
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -26.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -271.570013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.570013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.570013 (E_RNA)
where:
Base-Base interactions energy: -177.581
where: short stacking energy: -79.189
Base-Backbone interact. energy: -0.125
local terms energy: -93.863983
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -264.262643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.262643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.262643 (E_RNA)
where:
Base-Base interactions energy: -173.043
where: short stacking energy: -71.373
Base-Backbone interact. energy: -0.644
local terms energy: -90.575472
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -230.840653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.840653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.840653 (E_RNA)
where:
Base-Base interactions energy: -141.469
where: short stacking energy: -64.510
Base-Backbone interact. energy: -0.428
local terms energy: -88.943487
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -25.843
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -9.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -232.621493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.621493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.621493 (E_RNA)
where:
Base-Base interactions energy: -153.466
where: short stacking energy: -65.728
Base-Backbone interact. energy: -0.209
local terms energy: -78.946089
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -192.924496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.924496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.924496 (E_RNA)
where:
Base-Base interactions energy: -126.868
where: short stacking energy: -52.047
Base-Backbone interact. energy: -0.035
local terms energy: -66.022269
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -118.096961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.096961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.096961 (E_RNA)
where:
Base-Base interactions energy: -47.647
where: short stacking energy: -47.647
Base-Backbone interact. energy: -0.362
local terms energy: -70.087964
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -379.887764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.887764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.887764 (E_RNA)
where:
Base-Base interactions energy: -264.323
where: short stacking energy: -108.775
Base-Backbone interact. energy: -0.162
local terms energy: -115.402878
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -26.876
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -34.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -305.043480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.043480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.043480 (E_RNA)
where:
Base-Base interactions energy: -199.769
where: short stacking energy: -106.472
Base-Backbone interact. energy: -0.193
local terms energy: -105.081977
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: -29.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -339.984030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.984030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.984030 (E_RNA)
where:
Base-Base interactions energy: -229.257
where: short stacking energy: -81.650
Base-Backbone interact. energy: -1.364
local terms energy: -109.363545
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -291.892922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.892922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.892922 (E_RNA)
where:
Base-Base interactions energy: -185.997
where: short stacking energy: -92.697
Base-Backbone interact. energy: -0.062
local terms energy: -105.833412
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -23.603
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: 167
Temperature: 1.100000
Total energy: -263.969039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.969039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.969039 (E_RNA)
where:
Base-Base interactions energy: -158.457
where: short stacking energy: -86.690
Base-Backbone interact. energy: -0.042
local terms energy: -105.470238
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -262.666164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.666164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.666164 (E_RNA)
where:
Base-Base interactions energy: -168.269
where: short stacking energy: -73.957
Base-Backbone interact. energy: 0.202
local terms energy: -94.599249
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -14.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -229.071046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.071046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.071046 (E_RNA)
where:
Base-Base interactions energy: -147.217
where: short stacking energy: -67.965
Base-Backbone interact. energy: 0.215
local terms energy: -82.069281
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -217.604033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.604033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.604033 (E_RNA)
where:
Base-Base interactions energy: -141.014
where: short stacking energy: -51.110
Base-Backbone interact. energy: -0.583
local terms energy: -76.006683
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -215.009929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.009929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.009929 (E_RNA)
where:
Base-Base interactions energy: -126.801
where: short stacking energy: -50.031
Base-Backbone interact. energy: -0.132
local terms energy: -88.077077
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -24.670
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -7.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -104.095177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.095177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.095177 (E_RNA)
where:
Base-Base interactions energy: -33.028
where: short stacking energy: -21.832
Base-Backbone interact. energy: -1.920
local terms energy: -69.147663
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -10.107
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: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -373.733544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.733544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.733544 (E_RNA)
where:
Base-Base interactions energy: -259.692
where: short stacking energy: -109.585
Base-Backbone interact. energy: -0.118
local terms energy: -113.923930
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -30.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -317.931683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.931683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.931683 (E_RNA)
where:
Base-Base interactions energy: -201.679
where: short stacking energy: -108.251
Base-Backbone interact. energy: 0.033
local terms energy: -116.285716
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -26.914
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -29.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -326.583193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.583193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.583193 (E_RNA)
where:
Base-Base interactions energy: -218.657
where: short stacking energy: -77.057
Base-Backbone interact. energy: -0.381
local terms energy: -107.545698
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -25.227
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -23.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -298.750349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.750349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.750349 (E_RNA)
where:
Base-Base interactions energy: -198.534
where: short stacking energy: -89.538
Base-Backbone interact. energy: -0.600
local terms energy: -99.616070
where:
bonds (distance) C4'-P energy: -25.392
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -25.062
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: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -267.822703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.822703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.822703 (E_RNA)
where:
Base-Base interactions energy: -172.793
where: short stacking energy: -83.613
Base-Backbone interact. energy: -0.106
local terms energy: -94.923406
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -19.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -298.880991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.880991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.880991 (E_RNA)
where:
Base-Base interactions energy: -200.675
where: short stacking energy: -82.179
Base-Backbone interact. energy: -0.224
local terms energy: -97.981253
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -24.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -227.031179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.031179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.031179 (E_RNA)
where:
Base-Base interactions energy: -140.213
where: short stacking energy: -68.567
Base-Backbone interact. energy: -0.298
local terms energy: -86.520569
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -20.774
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -215.474962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.474962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.474962 (E_RNA)
where:
Base-Base interactions energy: -125.492
where: short stacking energy: -58.463
Base-Backbone interact. energy: -1.319
local terms energy: -88.663405
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -225.546408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.546408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.546408 (E_RNA)
where:
Base-Base interactions energy: -141.758
where: short stacking energy: -69.236
Base-Backbone interact. energy: -0.339
local terms energy: -83.449636
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -21.333
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -114.706782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.706782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.706782 (E_RNA)
where:
Base-Base interactions energy: -45.243
where: short stacking energy: -37.080
Base-Backbone interact. energy: -0.663
local terms energy: -68.800263
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -4.994
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: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -373.519759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.519759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.519759 (E_RNA)
where:
Base-Base interactions energy: -253.229
where: short stacking energy: -114.193
Base-Backbone interact. energy: -0.130
local terms energy: -120.160491
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -30.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -336.399213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.399213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.399213 (E_RNA)
where:
Base-Base interactions energy: -220.865
where: short stacking energy: -98.700
Base-Backbone interact. energy: -0.681
local terms energy: -114.853062
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -18.288
tors. eta vs tors. theta energy: -28.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -299.598342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.598342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.598342 (E_RNA)
where:
Base-Base interactions energy: -206.102
where: short stacking energy: -89.430
Base-Backbone interact. energy: -0.218
local terms energy: -93.277965
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -23.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -282.297013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.297013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.297013 (E_RNA)
where:
Base-Base interactions energy: -182.930
where: short stacking energy: -80.098
Base-Backbone interact. energy: 1.184
local terms energy: -100.551690
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -269.464898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.464898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.464898 (E_RNA)
where:
Base-Base interactions energy: -178.337
where: short stacking energy: -92.623
Base-Backbone interact. energy: -0.628
local terms energy: -90.500173
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -20.658
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: 6, replica: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -286.502441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.502441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.502441 (E_RNA)
where:
Base-Base interactions energy: -196.206
where: short stacking energy: -82.917
Base-Backbone interact. energy: -0.570
local terms energy: -89.726893
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -22.357
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -229.489895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.489895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.489895 (E_RNA)
where:
Base-Base interactions energy: -139.438
where: short stacking energy: -70.137
Base-Backbone interact. energy: 0.042
local terms energy: -90.093892
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -237.089891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.089891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.089891 (E_RNA)
where:
Base-Base interactions energy: -166.524
where: short stacking energy: -74.291
Base-Backbone interact. energy: 2.948
local terms energy: -73.514080
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -234.734465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.734465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.734465 (E_RNA)
where:
Base-Base interactions energy: -152.379
where: short stacking energy: -65.960
Base-Backbone interact. energy: 0.067
local terms energy: -82.422504
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -139.270977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.270977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.270977 (E_RNA)
where:
Base-Base interactions energy: -54.331
where: short stacking energy: -47.891
Base-Backbone interact. energy: 0.708
local terms energy: -85.647602
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -370.968473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.968473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.968473 (E_RNA)
where:
Base-Base interactions energy: -248.053
where: short stacking energy: -114.276
Base-Backbone interact. energy: -0.025
local terms energy: -122.890112
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -26.396
flat angles C4'-P-C4' energy: -27.000
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -35.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -346.650070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.650070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.650070 (E_RNA)
where:
Base-Base interactions energy: -232.799
where: short stacking energy: -99.731
Base-Backbone interact. energy: -0.618
local terms energy: -113.232611
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -26.365
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -26.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -294.434948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.434948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.434948 (E_RNA)
where:
Base-Base interactions energy: -193.114
where: short stacking energy: -87.666
Base-Backbone interact. energy: -0.156
local terms energy: -101.165737
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -24.105
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -21.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -275.536970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.536970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.536970 (E_RNA)
where:
Base-Base interactions energy: -182.136
where: short stacking energy: -80.646
Base-Backbone interact. energy: -0.167
local terms energy: -93.233587
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -290.177286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.177286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.177286 (E_RNA)
where:
Base-Base interactions energy: -198.064
where: short stacking energy: -82.543
Base-Backbone interact. energy: -0.061
local terms energy: -92.052817
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -262.075113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.075113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.075113 (E_RNA)
where:
Base-Base interactions energy: -177.312
where: short stacking energy: -73.134
Base-Backbone interact. energy: -0.219
local terms energy: -84.543478
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -242.626972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.626972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.626972 (E_RNA)
where:
Base-Base interactions energy: -153.788
where: short stacking energy: -81.499
Base-Backbone interact. energy: -0.083
local terms energy: -88.756349
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -222.090701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.090701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.090701 (E_RNA)
where:
Base-Base interactions energy: -134.705
where: short stacking energy: -70.866
Base-Backbone interact. energy: -0.536
local terms energy: -86.849573
where:
bonds (distance) C4'-P energy: -26.065
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -13.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -227.758903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.758903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.758903 (E_RNA)
where:
Base-Base interactions energy: -147.187
where: short stacking energy: -64.660
Base-Backbone interact. energy: -0.268
local terms energy: -80.303893
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -18.832
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -110.909854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.909854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.909854 (E_RNA)
where:
Base-Base interactions energy: -42.558
where: short stacking energy: -41.904
Base-Backbone interact. energy: -0.379
local terms energy: -67.973347
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -375.729477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.729477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.729477 (E_RNA)
where:
Base-Base interactions energy: -256.736
where: short stacking energy: -111.535
Base-Backbone interact. energy: -0.074
local terms energy: -118.919455
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -34.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -338.050604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.050604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.050604 (E_RNA)
where:
Base-Base interactions energy: -231.923
where: short stacking energy: -90.197
Base-Backbone interact. energy: -0.860
local terms energy: -105.267485
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -24.580
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -28.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -298.718217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.718217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.718217 (E_RNA)
where:
Base-Base interactions energy: -190.074
where: short stacking energy: -85.749
Base-Backbone interact. energy: -0.259
local terms energy: -108.385514
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -26.884
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -27.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -323.056342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.056342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.056342 (E_RNA)
where:
Base-Base interactions energy: -222.786
where: short stacking energy: -97.186
Base-Backbone interact. energy: 0.263
local terms energy: -100.533986
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -25.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -268.492295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.492295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.492295 (E_RNA)
where:
Base-Base interactions energy: -170.702
where: short stacking energy: -84.196
Base-Backbone interact. energy: -0.804
local terms energy: -96.985856
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -16.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -262.149345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.149345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.149345 (E_RNA)
where:
Base-Base interactions energy: -169.726
where: short stacking energy: -82.008
Base-Backbone interact. energy: -0.125
local terms energy: -92.298772
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -215.914463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.914463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.914463 (E_RNA)
where:
Base-Base interactions energy: -113.866
where: short stacking energy: -60.141
Base-Backbone interact. energy: 0.290
local terms energy: -102.338628
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -19.301
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -237.877270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.877270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.877270 (E_RNA)
where:
Base-Base interactions energy: -160.396
where: short stacking energy: -62.817
Base-Backbone interact. energy: 0.683
local terms energy: -78.164074
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -7.301
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: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -213.393491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.393491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.393491 (E_RNA)
where:
Base-Base interactions energy: -137.236
where: short stacking energy: -60.945
Base-Backbone interact. energy: -0.323
local terms energy: -75.835266
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -12.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -106.415096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.415096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.415096 (E_RNA)
where:
Base-Base interactions energy: -41.835
where: short stacking energy: -36.629
Base-Backbone interact. energy: -0.128
local terms energy: -64.452349
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -20.640
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: 3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -376.087281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.087281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.087281 (E_RNA)
where:
Base-Base interactions energy: -256.807
where: short stacking energy: -114.637
Base-Backbone interact. energy: -0.273
local terms energy: -119.007282
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -19.951
tors. eta vs tors. theta energy: -33.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -343.178350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.178350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.178350 (E_RNA)
where:
Base-Base interactions energy: -237.190
where: short stacking energy: -103.143
Base-Backbone interact. energy: 0.372
local terms energy: -106.360509
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -31.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -334.343837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.343837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.343837 (E_RNA)
where:
Base-Base interactions energy: -228.223
where: short stacking energy: -98.314
Base-Backbone interact. energy: -0.559
local terms energy: -105.561891
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -24.210
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: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -269.826690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.826690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.826690 (E_RNA)
where:
Base-Base interactions energy: -181.865
where: short stacking energy: -84.145
Base-Backbone interact. energy: 1.433
local terms energy: -89.394840
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -274.736542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.736542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.736542 (E_RNA)
where:
Base-Base interactions energy: -167.614
where: short stacking energy: -77.166
Base-Backbone interact. energy: -0.123
local terms energy: -107.000083
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -24.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -251.410096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.410096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.410096 (E_RNA)
where:
Base-Base interactions energy: -165.220
where: short stacking energy: -78.036
Base-Backbone interact. energy: -0.072
local terms energy: -86.118542
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -247.639989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.639989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.639989 (E_RNA)
where:
Base-Base interactions energy: -150.273
where: short stacking energy: -82.537
Base-Backbone interact. energy: -0.158
local terms energy: -97.208477
where:
bonds (distance) C4'-P energy: -21.664
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -206.469494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.469494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.469494 (E_RNA)
where:
Base-Base interactions energy: -116.571
where: short stacking energy: -51.878
Base-Backbone interact. energy: -0.284
local terms energy: -89.614613
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -171.434714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.434714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.434714 (E_RNA)
where:
Base-Base interactions energy: -96.975
where: short stacking energy: -49.608
Base-Backbone interact. energy: 0.970
local terms energy: -75.429075
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -198.527612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.527612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.527612 (E_RNA)
where:
Base-Base interactions energy: -121.562
where: short stacking energy: -55.490
Base-Backbone interact. energy: -0.348
local terms energy: -76.617624
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -371.274748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.274748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.274748 (E_RNA)
where:
Base-Base interactions energy: -251.709
where: short stacking energy: -114.088
Base-Backbone interact. energy: -0.538
local terms energy: -119.027697
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -24.019
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -32.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -352.862082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.862082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.862082 (E_RNA)
where:
Base-Base interactions energy: -244.376
where: short stacking energy: -102.830
Base-Backbone interact. energy: -0.915
local terms energy: -107.570581
where:
bonds (distance) C4'-P energy: -23.904
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -29.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -315.209782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.209782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.209782 (E_RNA)
where:
Base-Base interactions energy: -217.062
where: short stacking energy: -97.267
Base-Backbone interact. energy: -0.022
local terms energy: -98.126167
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -27.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -302.082952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.082952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.082952 (E_RNA)
where:
Base-Base interactions energy: -190.483
where: short stacking energy: -101.380
Base-Backbone interact. energy: -0.071
local terms energy: -111.528826
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -24.198
flat angles C4'-P-C4' energy: -23.300
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -28.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -261.224273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.224273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.224273 (E_RNA)
where:
Base-Base interactions energy: -166.856
where: short stacking energy: -72.713
Base-Backbone interact. energy: -0.190
local terms energy: -94.177782
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -256.348884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.348884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.348884 (E_RNA)
where:
Base-Base interactions energy: -162.981
where: short stacking energy: -85.035
Base-Backbone interact. energy: -0.099
local terms energy: -93.268538
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -23.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -234.743519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.743519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.743519 (E_RNA)
where:
Base-Base interactions energy: -139.068
where: short stacking energy: -66.217
Base-Backbone interact. energy: 0.416
local terms energy: -96.091623
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -219.421215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.421215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.421215 (E_RNA)
where:
Base-Base interactions energy: -127.902
where: short stacking energy: -57.158
Base-Backbone interact. energy: -0.869
local terms energy: -90.649398
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -21.703
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -190.132075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.132075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.132075 (E_RNA)
where:
Base-Base interactions energy: -109.230
where: short stacking energy: -52.784
Base-Backbone interact. energy: -0.484
local terms energy: -80.418574
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -164.175628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.175628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.175628 (E_RNA)
where:
Base-Base interactions energy: -92.783
where: short stacking energy: -39.686
Base-Backbone interact. energy: 0.435
local terms energy: -71.827340
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -369.252732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.252732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.252732 (E_RNA)
where:
Base-Base interactions energy: -250.110
where: short stacking energy: -108.862
Base-Backbone interact. energy: -0.030
local terms energy: -119.112669
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -33.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -327.633032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.633032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.633032 (E_RNA)
where:
Base-Base interactions energy: -214.400
where: short stacking energy: -104.113
Base-Backbone interact. energy: 1.573
local terms energy: -114.805164
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -32.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -325.468334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.468334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.468334 (E_RNA)
where:
Base-Base interactions energy: -213.144
where: short stacking energy: -86.937
Base-Backbone interact. energy: -0.087
local terms energy: -112.237329
where:
bonds (distance) C4'-P energy: -24.892
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -24.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -293.490046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.490046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.490046 (E_RNA)
where:
Base-Base interactions energy: -189.315
where: short stacking energy: -91.157
Base-Backbone interact. energy: 0.570
local terms energy: -104.744329
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -25.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -291.763945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.763945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.763945 (E_RNA)
where:
Base-Base interactions energy: -202.143
where: short stacking energy: -84.875
Base-Backbone interact. energy: -0.241
local terms energy: -89.380531
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -15.406
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: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -261.815781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.815781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.815781 (E_RNA)
where:
Base-Base interactions energy: -166.813
where: short stacking energy: -71.857
Base-Backbone interact. energy: -0.413
local terms energy: -94.589762
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -13.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -228.098480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.098480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.098480 (E_RNA)
where:
Base-Base interactions energy: -142.198
where: short stacking energy: -66.649
Base-Backbone interact. energy: 0.897
local terms energy: -86.797430
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -215.114964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.114964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.114964 (E_RNA)
where:
Base-Base interactions energy: -134.503
where: short stacking energy: -56.285
Base-Backbone interact. energy: 0.824
local terms energy: -81.435774
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -191.455659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.455659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.455659 (E_RNA)
where:
Base-Base interactions energy: -104.593
where: short stacking energy: -47.227
Base-Backbone interact. energy: -0.206
local terms energy: -86.657376
where:
bonds (distance) C4'-P energy: -25.797
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -204.533274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.533274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.533274 (E_RNA)
where:
Base-Base interactions energy: -124.107
where: short stacking energy: -54.740
Base-Backbone interact. energy: -1.061
local terms energy: -79.364801
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -12.243
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: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -381.602841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.602841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.602841 (E_RNA)
where:
Base-Base interactions energy: -266.411
where: short stacking energy: -113.444
Base-Backbone interact. energy: 0.866
local terms energy: -116.058152
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -24.983
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -33.530
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: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -325.675973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.675973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.675973 (E_RNA)
where:
Base-Base interactions energy: -210.078
where: short stacking energy: -103.849
Base-Backbone interact. energy: -0.042
local terms energy: -115.556345
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -22.959
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: -31.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -309.375745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.375745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.375745 (E_RNA)
where:
Base-Base interactions energy: -210.001
where: short stacking energy: -87.384
Base-Backbone interact. energy: 0.092
local terms energy: -99.466776
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -289.411020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.411020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.411020 (E_RNA)
where:
Base-Base interactions energy: -187.272
where: short stacking energy: -79.549
Base-Backbone interact. energy: -0.221
local terms energy: -101.917997
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -18.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -277.128936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.128936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.128936 (E_RNA)
where:
Base-Base interactions energy: -178.362
where: short stacking energy: -94.771
Base-Backbone interact. energy: -0.070
local terms energy: -98.696832
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -255.580964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.580964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.580964 (E_RNA)
where:
Base-Base interactions energy: -161.978
where: short stacking energy: -65.034
Base-Backbone interact. energy: 0.823
local terms energy: -94.426135
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -15.746
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: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -240.853136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.853136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.853136 (E_RNA)
where:
Base-Base interactions energy: -153.400
where: short stacking energy: -73.229
Base-Backbone interact. energy: -0.481
local terms energy: -86.971634
where:
bonds (distance) C4'-P energy: -25.933
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -12.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -206.041783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.041783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.041783 (E_RNA)
where:
Base-Base interactions energy: -132.753
where: short stacking energy: -62.948
Base-Backbone interact. energy: 0.971
local terms energy: -74.260454
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -114.195659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.195659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.195659 (E_RNA)
where:
Base-Base interactions energy: -41.436
where: short stacking energy: -19.343
Base-Backbone interact. energy: -0.365
local terms energy: -72.394786
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: 1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -182.125187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.125187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.125187 (E_RNA)
where:
Base-Base interactions energy: -105.929
where: short stacking energy: -44.220
Base-Backbone interact. energy: -0.281
local terms energy: -75.915662
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -376.350944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.350944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.350944 (E_RNA)
where:
Base-Base interactions energy: -253.980
where: short stacking energy: -110.675
Base-Backbone interact. energy: -0.010
local terms energy: -122.360528
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -35.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -318.863735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.863735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.863735 (E_RNA)
where:
Base-Base interactions energy: -203.139
where: short stacking energy: -97.789
Base-Backbone interact. energy: -0.782
local terms energy: -114.942078
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -29.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -316.172160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.172160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.172160 (E_RNA)
where:
Base-Base interactions energy: -211.091
where: short stacking energy: -84.124
Base-Backbone interact. energy: 0.398
local terms energy: -105.478298
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -25.731
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -20.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -298.694906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.694906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.694906 (E_RNA)
where:
Base-Base interactions energy: -183.735
where: short stacking energy: -97.696
Base-Backbone interact. energy: -0.330
local terms energy: -114.630713
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -25.723
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -27.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -242.059142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.059142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.059142 (E_RNA)
where:
Base-Base interactions energy: -157.012
where: short stacking energy: -70.057
Base-Backbone interact. energy: 1.423
local terms energy: -86.469993
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -274.031870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.031870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.031870 (E_RNA)
where:
Base-Base interactions energy: -180.780
where: short stacking energy: -82.039
Base-Backbone interact. energy: -0.689
local terms energy: -92.563215
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -22.266
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: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -254.247427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.247427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.247427 (E_RNA)
where:
Base-Base interactions energy: -162.312
where: short stacking energy: -80.394
Base-Backbone interact. energy: -0.166
local terms energy: -91.769237
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -21.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -215.240006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.240006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.240006 (E_RNA)
where:
Base-Base interactions energy: -128.331
where: short stacking energy: -62.175
Base-Backbone interact. energy: -0.012
local terms energy: -86.896784
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -188.003911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.003911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.003911 (E_RNA)
where:
Base-Base interactions energy: -116.874
where: short stacking energy: -64.187
Base-Backbone interact. energy: -0.163
local terms energy: -70.967510
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -113.977062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.977062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.977062 (E_RNA)
where:
Base-Base interactions energy: -45.017
where: short stacking energy: -34.037
Base-Backbone interact. energy: -0.371
local terms energy: -68.589107
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -22.396
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -5.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -367.895915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.895915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.895915 (E_RNA)
where:
Base-Base interactions energy: -241.529
where: short stacking energy: -111.210
Base-Backbone interact. energy: -0.011
local terms energy: -126.356715
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -26.749
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -34.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -343.008588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.008588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.008588 (E_RNA)
where:
Base-Base interactions energy: -240.749
where: short stacking energy: -96.887
Base-Backbone interact. energy: -0.451
local terms energy: -101.808263
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -321.203036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.203036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.203036 (E_RNA)
where:
Base-Base interactions energy: -210.632
where: short stacking energy: -98.047
Base-Backbone interact. energy: -0.492
local terms energy: -110.079113
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -24.775
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -26.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -279.121315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.121315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.121315 (E_RNA)
where:
Base-Base interactions energy: -179.777
where: short stacking energy: -83.324
Base-Backbone interact. energy: -0.153
local terms energy: -99.191331
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -275.882090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.882090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.882090 (E_RNA)
where:
Base-Base interactions energy: -188.234
where: short stacking energy: -83.369
Base-Backbone interact. energy: 0.637
local terms energy: -88.284483
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -266.564337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.564337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.564337 (E_RNA)
where:
Base-Base interactions energy: -169.302
where: short stacking energy: -86.521
Base-Backbone interact. energy: -0.122
local terms energy: -97.140193
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -21.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -247.621278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.621278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.621278 (E_RNA)
where:
Base-Base interactions energy: -151.932
where: short stacking energy: -60.824
Base-Backbone interact. energy: -0.550
local terms energy: -95.138783
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -26.623
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -219.823613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.823613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.823613 (E_RNA)
where:
Base-Base interactions energy: -137.443
where: short stacking energy: -65.288
Base-Backbone interact. energy: 0.758
local terms energy: -83.138643
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -11.771
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: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -192.110922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.110922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.110922 (E_RNA)
where:
Base-Base interactions energy: -102.938
where: short stacking energy: -44.402
Base-Backbone interact. energy: -0.440
local terms energy: -88.732695
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -26.185
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -108.260408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.260408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.260408 (E_RNA)
where:
Base-Base interactions energy: -42.442
where: short stacking energy: -33.938
Base-Backbone interact. energy: -0.043
local terms energy: -65.775516
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -353.664919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.664919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.664919 (E_RNA)
where:
Base-Base interactions energy: -236.029
where: short stacking energy: -106.953
Base-Backbone interact. energy: -0.895
local terms energy: -116.740154
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -25.804
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -28.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -367.376577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.376577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.376577 (E_RNA)
where:
Base-Base interactions energy: -244.343
where: short stacking energy: -107.486
Base-Backbone interact. energy: -0.009
local terms energy: -123.024812
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -33.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -332.131748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.131748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.131748 (E_RNA)
where:
Base-Base interactions energy: -221.219
where: short stacking energy: -100.794
Base-Backbone interact. energy: 0.270
local terms energy: -111.182343
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -25.504
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -26.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -279.245575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.245575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.245575 (E_RNA)
where:
Base-Base interactions energy: -175.496
where: short stacking energy: -85.089
Base-Backbone interact. energy: -0.185
local terms energy: -103.564395
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -24.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -261.910525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.910525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.910525 (E_RNA)
where:
Base-Base interactions energy: -174.456
where: short stacking energy: -85.992
Base-Backbone interact. energy: 0.768
local terms energy: -88.221997
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -267.118367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.118367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.118367 (E_RNA)
where:
Base-Base interactions energy: -181.108
where: short stacking energy: -71.770
Base-Backbone interact. energy: -0.151
local terms energy: -85.859488
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -14.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -247.662197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.662197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.662197 (E_RNA)
where:
Base-Base interactions energy: -157.623
where: short stacking energy: -73.566
Base-Backbone interact. energy: -0.445
local terms energy: -89.594948
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -243.606747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.606747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.606747 (E_RNA)
where:
Base-Base interactions energy: -155.013
where: short stacking energy: -73.696
Base-Backbone interact. energy: 0.208
local terms energy: -88.801493
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -184.711085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.711085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.711085 (E_RNA)
where:
Base-Base interactions energy: -112.681
where: short stacking energy: -59.949
Base-Backbone interact. energy: -0.292
local terms energy: -71.737918
where:
bonds (distance) C4'-P energy: -26.953
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -8.453
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: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -123.264744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.264744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.264744 (E_RNA)
where:
Base-Base interactions energy: -67.390
where: short stacking energy: -35.940
Base-Backbone interact. energy: 4.603
local terms energy: -60.477555
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -4.769
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: 179
Temperature: 0.900000
Total energy: -355.681720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.681720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.681720 (E_RNA)
where:
Base-Base interactions energy: -241.040
where: short stacking energy: -100.545
Base-Backbone interact. energy: -0.107
local terms energy: -114.534416
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -20.466
tors. eta vs tors. theta energy: -29.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -365.963827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.963827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.963827 (E_RNA)
where:
Base-Base interactions energy: -250.059
where: short stacking energy: -104.931
Base-Backbone interact. energy: -0.617
local terms energy: -115.287919
where:
bonds (distance) C4'-P energy: -26.155
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -33.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -331.388863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.388863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.388863 (E_RNA)
where:
Base-Base interactions energy: -218.531
where: short stacking energy: -93.379
Base-Backbone interact. energy: -0.382
local terms energy: -112.475613
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -27.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -284.412506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.412506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.412506 (E_RNA)
where:
Base-Base interactions energy: -181.615
where: short stacking energy: -88.023
Base-Backbone interact. energy: -0.892
local terms energy: -101.905648
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -26.117
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -277.664705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.664705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.664705 (E_RNA)
where:
Base-Base interactions energy: -178.696
where: short stacking energy: -86.900
Base-Backbone interact. energy: 1.695
local terms energy: -100.663731
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -26.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -257.369763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.369763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.369763 (E_RNA)
where:
Base-Base interactions energy: -168.461
where: short stacking energy: -83.261
Base-Backbone interact. energy: -0.694
local terms energy: -88.214514
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -257.483765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.483765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.483765 (E_RNA)
where:
Base-Base interactions energy: -157.808
where: short stacking energy: -75.680
Base-Backbone interact. energy: -0.065
local terms energy: -99.610914
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -18.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -246.718782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.718782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.718782 (E_RNA)
where:
Base-Base interactions energy: -161.837
where: short stacking energy: -62.546
Base-Backbone interact. energy: -0.022
local terms energy: -84.859486
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -9.495
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: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -228.235859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.235859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.235859 (E_RNA)
where:
Base-Base interactions energy: -145.688
where: short stacking energy: -62.657
Base-Backbone interact. energy: -0.363
local terms energy: -82.184283
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -27.049
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -11.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -109.592935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.592935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.592935 (E_RNA)
where:
Base-Base interactions energy: -44.189
where: short stacking energy: -30.742
Base-Backbone interact. energy: -1.403
local terms energy: -64.000921
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: 5.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -354.942518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.942518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.942518 (E_RNA)
where:
Base-Base interactions energy: -243.731
where: short stacking energy: -100.631
Base-Backbone interact. energy: -0.167
local terms energy: -111.045109
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -27.626
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -25.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -347.471612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.471612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.471612 (E_RNA)
where:
Base-Base interactions energy: -219.730
where: short stacking energy: -98.367
Base-Backbone interact. energy: -0.025
local terms energy: -127.716493
where:
bonds (distance) C4'-P energy: -26.207
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -25.813
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -33.387
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: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -328.403119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.403119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.403119 (E_RNA)
where:
Base-Base interactions energy: -218.759
where: short stacking energy: -81.575
Base-Backbone interact. energy: -0.967
local terms energy: -108.676550
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -26.925
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -286.545998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.545998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.545998 (E_RNA)
where:
Base-Base interactions energy: -200.898
where: short stacking energy: -81.731
Base-Backbone interact. energy: 1.173
local terms energy: -86.821648
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -274.833734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.833734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.833734 (E_RNA)
where:
Base-Base interactions energy: -168.815
where: short stacking energy: -86.469
Base-Backbone interact. energy: -0.236
local terms energy: -105.782225
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -28.165
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -20.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -267.921688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.921688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.921688 (E_RNA)
where:
Base-Base interactions energy: -182.234
where: short stacking energy: -84.927
Base-Backbone interact. energy: 1.003
local terms energy: -86.690284
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -274.746692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.746692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.746692 (E_RNA)
where:
Base-Base interactions energy: -179.394
where: short stacking energy: -76.375
Base-Backbone interact. energy: -0.606
local terms energy: -94.746928
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -236.137851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.137851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.137851 (E_RNA)
where:
Base-Base interactions energy: -145.505
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.059
local terms energy: -90.573953
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -237.356507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.356507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.356507 (E_RNA)
where:
Base-Base interactions energy: -143.163
where: short stacking energy: -57.938
Base-Backbone interact. energy: -0.181
local terms energy: -94.012372
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -114.408605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.408605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.408605 (E_RNA)
where:
Base-Base interactions energy: -62.196
where: short stacking energy: -52.203
Base-Backbone interact. energy: 2.191
local terms energy: -54.402709
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -2.826
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: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -364.612947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.612947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.612947 (E_RNA)
where:
Base-Base interactions energy: -246.585
where: short stacking energy: -98.135
Base-Backbone interact. energy: -0.375
local terms energy: -117.652830
where:
bonds (distance) C4'-P energy: -27.977
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -25.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -347.279023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.279023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.279023 (E_RNA)
where:
Base-Base interactions energy: -237.880
where: short stacking energy: -84.492
Base-Backbone interact. energy: -1.233
local terms energy: -108.165474
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -27.091
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: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -344.476973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.476973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.476973 (E_RNA)
where:
Base-Base interactions energy: -227.268
where: short stacking energy: -109.835
Base-Backbone interact. energy: -0.448
local terms energy: -116.761465
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -31.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -283.360893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.360893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.360893 (E_RNA)
where:
Base-Base interactions energy: -174.383
where: short stacking energy: -82.387
Base-Backbone interact. energy: 1.251
local terms energy: -110.228925
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -23.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -261.977247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.977247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.977247 (E_RNA)
where:
Base-Base interactions energy: -161.969
where: short stacking energy: -81.638
Base-Backbone interact. energy: -0.007
local terms energy: -100.001302
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -25.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -272.058779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.058779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.058779 (E_RNA)
where:
Base-Base interactions energy: -170.949
where: short stacking energy: -74.487
Base-Backbone interact. energy: 1.084
local terms energy: -102.193680
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -251.956680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.956680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.956680 (E_RNA)
where:
Base-Base interactions energy: -160.855
where: short stacking energy: -66.140
Base-Backbone interact. energy: -0.050
local terms energy: -91.051761
where:
bonds (distance) C4'-P energy: -22.573
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -17.212
tors. eta vs tors. theta energy: -14.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -240.108349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.108349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.108349 (E_RNA)
where:
Base-Base interactions energy: -157.139
where: short stacking energy: -60.966
Base-Backbone interact. energy: -0.257
local terms energy: -82.712226
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -208.147958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.147958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.147958 (E_RNA)
where:
Base-Base interactions energy: -136.988
where: short stacking energy: -61.276
Base-Backbone interact. energy: -0.734
local terms energy: -70.425783
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -3.225
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: 181
Temperature: 1.350000
Total energy: -116.974200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.974200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.974200 (E_RNA)
where:
Base-Base interactions energy: -53.046
where: short stacking energy: -25.564
Base-Backbone interact. energy: -0.182
local terms energy: -63.746215
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -21.749
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: 2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -359.200904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.200904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.200904 (E_RNA)
where:
Base-Base interactions energy: -247.704
where: short stacking energy: -87.568
Base-Backbone interact. energy: -0.365
local terms energy: -111.132573
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -24.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -358.267697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.267697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.267697 (E_RNA)
where:
Base-Base interactions energy: -253.694
where: short stacking energy: -100.659
Base-Backbone interact. energy: 2.403
local terms energy: -106.976850
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: -27.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -356.278121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.278121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.278121 (E_RNA)
where:
Base-Base interactions energy: -239.027
where: short stacking energy: -104.689
Base-Backbone interact. energy: -0.222
local terms energy: -117.029049
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -20.232
tors. eta vs tors. theta energy: -33.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -287.106660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.106660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.106660 (E_RNA)
where:
Base-Base interactions energy: -176.625
where: short stacking energy: -86.310
Base-Backbone interact. energy: -0.375
local terms energy: -110.106895
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -278.679437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.679437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.679437 (E_RNA)
where:
Base-Base interactions energy: -187.569
where: short stacking energy: -84.122
Base-Backbone interact. energy: -0.876
local terms energy: -90.234830
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -266.439643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.439643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.439643 (E_RNA)
where:
Base-Base interactions energy: -175.644
where: short stacking energy: -82.240
Base-Backbone interact. energy: -0.162
local terms energy: -90.633539
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -245.118464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.118464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.118464 (E_RNA)
where:
Base-Base interactions energy: -157.667
where: short stacking energy: -84.213
Base-Backbone interact. energy: -1.053
local terms energy: -86.398283
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -231.524400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.524400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.524400 (E_RNA)
where:
Base-Base interactions energy: -149.936
where: short stacking energy: -61.370
Base-Backbone interact. energy: -0.744
local terms energy: -80.844357
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -212.599652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.599652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.599652 (E_RNA)
where:
Base-Base interactions energy: -128.892
where: short stacking energy: -59.289
Base-Backbone interact. energy: -1.443
local terms energy: -82.265242
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -10.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -117.121752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.121752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.121752 (E_RNA)
where:
Base-Base interactions energy: -50.651
where: short stacking energy: -47.117
Base-Backbone interact. energy: 2.449
local terms energy: -68.920186
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -353.654123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.654123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.654123 (E_RNA)
where:
Base-Base interactions energy: -244.184
where: short stacking energy: -98.330
Base-Backbone interact. energy: -1.024
local terms energy: -108.446086
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -27.906
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -24.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -358.053993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.053993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.053993 (E_RNA)
where:
Base-Base interactions energy: -242.554
where: short stacking energy: -105.447
Base-Backbone interact. energy: -0.036
local terms energy: -115.463800
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -32.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -343.436458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.436458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.436458 (E_RNA)
where:
Base-Base interactions energy: -239.956
where: short stacking energy: -90.170
Base-Backbone interact. energy: -0.588
local terms energy: -102.892626
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -27.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -282.414678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.414678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.414678 (E_RNA)
where:
Base-Base interactions energy: -192.574
where: short stacking energy: -81.509
Base-Backbone interact. energy: 0.266
local terms energy: -90.107182
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -270.734418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.734418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.734418 (E_RNA)
where:
Base-Base interactions energy: -173.300
where: short stacking energy: -83.598
Base-Backbone interact. energy: -0.904
local terms energy: -96.530331
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -269.022228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.022228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.022228 (E_RNA)
where:
Base-Base interactions energy: -171.437
where: short stacking energy: -87.382
Base-Backbone interact. energy: -0.038
local terms energy: -97.546993
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -26.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -247.013581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.013581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.013581 (E_RNA)
where:
Base-Base interactions energy: -151.135
where: short stacking energy: -66.614
Base-Backbone interact. energy: 0.224
local terms energy: -96.102193
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -25.530
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -227.695784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.695784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.695784 (E_RNA)
where:
Base-Base interactions energy: -144.909
where: short stacking energy: -63.085
Base-Backbone interact. energy: -0.193
local terms energy: -82.593706
where:
bonds (distance) C4'-P energy: -20.960
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -230.728156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.728156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.728156 (E_RNA)
where:
Base-Base interactions energy: -161.313
where: short stacking energy: -74.303
Base-Backbone interact. energy: 1.137
local terms energy: -70.552019
where:
bonds (distance) C4'-P energy: -6.211
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -118.000732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.000732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.000732 (E_RNA)
where:
Base-Base interactions energy: -39.417
where: short stacking energy: -37.849
Base-Backbone interact. energy: -0.218
local terms energy: -78.365427
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -25.128
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -8.750
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: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -368.700922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.700922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.700922 (E_RNA)
where:
Base-Base interactions energy: -242.586
where: short stacking energy: -115.065
Base-Backbone interact. energy: -0.116
local terms energy: -125.998846
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -35.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -349.364602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.364602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.364602 (E_RNA)
where:
Base-Base interactions energy: -248.265
where: short stacking energy: -95.509
Base-Backbone interact. energy: 1.091
local terms energy: -102.190506
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -25.662
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -324.192042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.192042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.192042 (E_RNA)
where:
Base-Base interactions energy: -217.692
where: short stacking energy: -105.889
Base-Backbone interact. energy: -0.176
local terms energy: -106.324434
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -26.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -279.449773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.449773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.449773 (E_RNA)
where:
Base-Base interactions energy: -185.258
where: short stacking energy: -85.217
Base-Backbone interact. energy: -0.092
local terms energy: -94.099616
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -269.640049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.640049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.640049 (E_RNA)
where:
Base-Base interactions energy: -163.064
where: short stacking energy: -81.590
Base-Backbone interact. energy: -0.275
local terms energy: -106.301156
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -258.925993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.925993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.925993 (E_RNA)
where:
Base-Base interactions energy: -172.649
where: short stacking energy: -80.999
Base-Backbone interact. energy: 0.770
local terms energy: -87.046885
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -273.836578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.836578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.836578 (E_RNA)
where:
Base-Base interactions energy: -176.037
where: short stacking energy: -81.065
Base-Backbone interact. energy: -0.122
local terms energy: -97.676975
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -248.894023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.894023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.894023 (E_RNA)
where:
Base-Base interactions energy: -164.532
where: short stacking energy: -74.295
Base-Backbone interact. energy: 1.126
local terms energy: -85.488223
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -17.388
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: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -225.116839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.116839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.116839 (E_RNA)
where:
Base-Base interactions energy: -148.393
where: short stacking energy: -61.377
Base-Backbone interact. energy: 0.241
local terms energy: -76.964417
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -14.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -109.057701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.057701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.057701 (E_RNA)
where:
Base-Base interactions energy: -46.562
where: short stacking energy: -35.134
Base-Backbone interact. energy: -0.216
local terms energy: -62.280496
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: 0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -367.590544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.590544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.590544 (E_RNA)
where:
Base-Base interactions energy: -242.807
where: short stacking energy: -101.048
Base-Backbone interact. energy: -0.058
local terms energy: -124.725755
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -27.058
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -33.684
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: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -357.442733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.442733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.442733 (E_RNA)
where:
Base-Base interactions energy: -249.909
where: short stacking energy: -88.714
Base-Backbone interact. energy: -1.087
local terms energy: -106.447136
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -17.825
tors. eta vs tors. theta energy: -25.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -331.023309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.023309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.023309 (E_RNA)
where:
Base-Base interactions energy: -222.154
where: short stacking energy: -95.893
Base-Backbone interact. energy: -0.046
local terms energy: -108.823458
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -30.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -283.603371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.603371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.603371 (E_RNA)
where:
Base-Base interactions energy: -177.718
where: short stacking energy: -87.824
Base-Backbone interact. energy: -0.147
local terms energy: -105.737788
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -270.382751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.382751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.382751 (E_RNA)
where:
Base-Base interactions energy: -178.485
where: short stacking energy: -87.158
Base-Backbone interact. energy: -0.150
local terms energy: -91.747455
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -286.354107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.354107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.354107 (E_RNA)
where:
Base-Base interactions energy: -179.796
where: short stacking energy: -92.435
Base-Backbone interact. energy: -0.054
local terms energy: -106.504430
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -27.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -254.122189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.122189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.122189 (E_RNA)
where:
Base-Base interactions energy: -160.792
where: short stacking energy: -79.065
Base-Backbone interact. energy: -0.552
local terms energy: -92.777900
where:
bonds (distance) C4'-P energy: -24.310
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -243.836106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.836106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.836106 (E_RNA)
where:
Base-Base interactions energy: -160.331
where: short stacking energy: -72.719
Base-Backbone interact. energy: -0.144
local terms energy: -83.360491
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -232.486365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.486365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.486365 (E_RNA)
where:
Base-Base interactions energy: -153.299
where: short stacking energy: -68.972
Base-Backbone interact. energy: -0.253
local terms energy: -78.934643
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -101.475192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.475192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.475192 (E_RNA)
where:
Base-Base interactions energy: -30.465
where: short stacking energy: -27.951
Base-Backbone interact. energy: -0.380
local terms energy: -70.630816
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -21.481
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: 4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -357.131154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.131154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.131154 (E_RNA)
where:
Base-Base interactions energy: -238.565
where: short stacking energy: -105.509
Base-Backbone interact. energy: -0.968
local terms energy: -117.597459
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -26.424
flat angles C4'-P-C4' energy: -25.427
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -28.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -361.715811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.715811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.715811 (E_RNA)
where:
Base-Base interactions energy: -249.742
where: short stacking energy: -101.912
Base-Backbone interact. energy: -0.123
local terms energy: -111.850559
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -31.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -329.068720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.068720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.068720 (E_RNA)
where:
Base-Base interactions energy: -224.432
where: short stacking energy: -96.463
Base-Backbone interact. energy: -0.573
local terms energy: -104.063622
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -29.537
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: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -274.772522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.772522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.772522 (E_RNA)
where:
Base-Base interactions energy: -175.909
where: short stacking energy: -91.065
Base-Backbone interact. energy: -0.138
local terms energy: -98.725734
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -22.235
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -284.948845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.948845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.948845 (E_RNA)
where:
Base-Base interactions energy: -186.696
where: short stacking energy: -96.802
Base-Backbone interact. energy: -0.144
local terms energy: -98.108254
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -25.464
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -28.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -263.375170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.375170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.375170 (E_RNA)
where:
Base-Base interactions energy: -164.018
where: short stacking energy: -72.425
Base-Backbone interact. energy: -0.332
local terms energy: -99.024920
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -26.180
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -255.517936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.517936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.517936 (E_RNA)
where:
Base-Base interactions energy: -162.391
where: short stacking energy: -73.316
Base-Backbone interact. energy: -0.528
local terms energy: -92.599358
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -18.389
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: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -249.186156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.186156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.186156 (E_RNA)
where:
Base-Base interactions energy: -152.373
where: short stacking energy: -67.149
Base-Backbone interact. energy: 0.648
local terms energy: -97.461053
where:
bonds (distance) C4'-P energy: -25.756
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -206.942924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.942924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.942924 (E_RNA)
where:
Base-Base interactions energy: -132.485
where: short stacking energy: -69.379
Base-Backbone interact. energy: -0.022
local terms energy: -74.435283
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -108.384183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.384183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.384183 (E_RNA)
where:
Base-Base interactions energy: -45.554
where: short stacking energy: -39.905
Base-Backbone interact. energy: -0.159
local terms energy: -62.671470
where:
bonds (distance) C4'-P energy: -20.721
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: 2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -347.150427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.150427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.150427 (E_RNA)
where:
Base-Base interactions energy: -233.666
where: short stacking energy: -91.549
Base-Backbone interact. energy: -1.810
local terms energy: -111.674348
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -25.645
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: -29.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -364.694039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.694039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.694039 (E_RNA)
where:
Base-Base interactions energy: -244.923
where: short stacking energy: -109.575
Base-Backbone interact. energy: -0.066
local terms energy: -119.705174
where:
bonds (distance) C4'-P energy: -23.750
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -32.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -332.655440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.655440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.655440 (E_RNA)
where:
Base-Base interactions energy: -225.473
where: short stacking energy: -96.307
Base-Backbone interact. energy: -0.909
local terms energy: -106.274060
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -29.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -289.400254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.400254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.400254 (E_RNA)
where:
Base-Base interactions energy: -186.589
where: short stacking energy: -84.468
Base-Backbone interact. energy: -0.262
local terms energy: -102.548530
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -270.589365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.589365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.589365 (E_RNA)
where:
Base-Base interactions energy: -172.841
where: short stacking energy: -81.635
Base-Backbone interact. energy: -0.516
local terms energy: -97.231991
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -22.875
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: 6, replica: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -230.637342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.637342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.637342 (E_RNA)
where:
Base-Base interactions energy: -136.699
where: short stacking energy: -56.940
Base-Backbone interact. energy: -0.210
local terms energy: -93.729137
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -246.898165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.898165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.898165 (E_RNA)
where:
Base-Base interactions energy: -163.611
where: short stacking energy: -80.848
Base-Backbone interact. energy: -0.100
local terms energy: -83.187523
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -262.217929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.217929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.217929 (E_RNA)
where:
Base-Base interactions energy: -167.890
where: short stacking energy: -63.945
Base-Backbone interact. energy: -0.315
local terms energy: -94.012654
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -26.293
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -231.186072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.186072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.186072 (E_RNA)
where:
Base-Base interactions energy: -148.470
where: short stacking energy: -68.407
Base-Backbone interact. energy: -0.034
local terms energy: -82.681687
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -13.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -107.923668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.923668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.923668 (E_RNA)
where:
Base-Base interactions energy: -39.480
where: short stacking energy: -29.703
Base-Backbone interact. energy: -0.440
local terms energy: -68.003765
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -366.254535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.254535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.254535 (E_RNA)
where:
Base-Base interactions energy: -239.379
where: short stacking energy: -104.748
Base-Backbone interact. energy: -0.131
local terms energy: -126.744158
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -30.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -337.391692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.391692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.391692 (E_RNA)
where:
Base-Base interactions energy: -225.131
where: short stacking energy: -95.006
Base-Backbone interact. energy: 1.897
local terms energy: -114.157389
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -29.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -331.403509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.403509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.403509 (E_RNA)
where:
Base-Base interactions energy: -222.821
where: short stacking energy: -92.608
Base-Backbone interact. energy: -0.136
local terms energy: -108.446950
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -25.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -294.990840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.990840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.990840 (E_RNA)
where:
Base-Base interactions energy: -195.653
where: short stacking energy: -87.959
Base-Backbone interact. energy: -0.072
local terms energy: -99.265929
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -22.690
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: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -283.381568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.381568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.381568 (E_RNA)
where:
Base-Base interactions energy: -177.291
where: short stacking energy: -90.803
Base-Backbone interact. energy: -0.232
local terms energy: -105.858718
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -24.203
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -255.683845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.683845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.683845 (E_RNA)
where:
Base-Base interactions energy: -157.479
where: short stacking energy: -78.570
Base-Backbone interact. energy: -0.938
local terms energy: -97.267283
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -260.092035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.092035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.092035 (E_RNA)
where:
Base-Base interactions energy: -168.862
where: short stacking energy: -74.213
Base-Backbone interact. energy: 0.247
local terms energy: -91.477006
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -20.345
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: 188
Temperature: 1.250000
Total energy: -238.872403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.872403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.872403 (E_RNA)
where:
Base-Base interactions energy: -149.348
where: short stacking energy: -63.041
Base-Backbone interact. energy: -0.392
local terms energy: -89.132543
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -215.916218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.916218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.916218 (E_RNA)
where:
Base-Base interactions energy: -133.260
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.119
local terms energy: -82.537256
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -12.938
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: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -107.969178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.969178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.969178 (E_RNA)
where:
Base-Base interactions energy: -39.897
where: short stacking energy: -28.008
Base-Backbone interact. energy: -0.353
local terms energy: -67.719762
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: 0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -367.205975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.205975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.205975 (E_RNA)
where:
Base-Base interactions energy: -257.459
where: short stacking energy: -107.319
Base-Backbone interact. energy: 0.153
local terms energy: -109.900471
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -33.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -332.578602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.578602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.578602 (E_RNA)
where:
Base-Base interactions energy: -225.091
where: short stacking energy: -94.071
Base-Backbone interact. energy: -1.070
local terms energy: -106.417263
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -28.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -319.388467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.388467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.388467 (E_RNA)
where:
Base-Base interactions energy: -223.031
where: short stacking energy: -76.852
Base-Backbone interact. energy: -1.590
local terms energy: -94.767126
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -23.931
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -19.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -281.342506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.342506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.342506 (E_RNA)
where:
Base-Base interactions energy: -178.558
where: short stacking energy: -81.172
Base-Backbone interact. energy: -0.127
local terms energy: -102.657737
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -284.712335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.712335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.712335 (E_RNA)
where:
Base-Base interactions energy: -190.467
where: short stacking energy: -83.657
Base-Backbone interact. energy: -0.130
local terms energy: -94.114706
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -280.690222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.690222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.690222 (E_RNA)
where:
Base-Base interactions energy: -180.013
where: short stacking energy: -77.044
Base-Backbone interact. energy: -0.205
local terms energy: -100.472364
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -22.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -254.939992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.939992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.939992 (E_RNA)
where:
Base-Base interactions energy: -166.242
where: short stacking energy: -67.424
Base-Backbone interact. energy: -0.246
local terms energy: -88.451966
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -251.294049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.294049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.294049 (E_RNA)
where:
Base-Base interactions energy: -161.666
where: short stacking energy: -72.329
Base-Backbone interact. energy: 0.257
local terms energy: -89.885555
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -208.011897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.011897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.011897 (E_RNA)
where:
Base-Base interactions energy: -124.907
where: short stacking energy: -64.528
Base-Backbone interact. energy: -0.018
local terms energy: -83.087139
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -19.578
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -10.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -117.252431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.252431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.252431 (E_RNA)
where:
Base-Base interactions energy: -46.884
where: short stacking energy: -37.300
Base-Backbone interact. energy: -0.008
local terms energy: -70.360084
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -341.544170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.544170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.544170 (E_RNA)
where:
Base-Base interactions energy: -230.242
where: short stacking energy: -106.713
Base-Backbone interact. energy: -0.098
local terms energy: -111.204478
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -28.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -350.592743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.592743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.592743 (E_RNA)
where:
Base-Base interactions energy: -239.229
where: short stacking energy: -97.114
Base-Backbone interact. energy: -0.223
local terms energy: -111.140624
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -27.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -311.538959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.538959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.538959 (E_RNA)
where:
Base-Base interactions energy: -208.785
where: short stacking energy: -77.187
Base-Backbone interact. energy: -1.920
local terms energy: -100.834019
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -24.660
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -275.741703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.741703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.741703 (E_RNA)
where:
Base-Base interactions energy: -176.851
where: short stacking energy: -68.895
Base-Backbone interact. energy: -0.024
local terms energy: -98.866995
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -297.643052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.643052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.643052 (E_RNA)
where:
Base-Base interactions energy: -198.217
where: short stacking energy: -82.830
Base-Backbone interact. energy: -0.120
local terms energy: -99.306701
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -22.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -266.234329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.234329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.234329 (E_RNA)
where:
Base-Base interactions energy: -180.307
where: short stacking energy: -68.928
Base-Backbone interact. energy: 0.541
local terms energy: -86.468082
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -251.025204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.025204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.025204 (E_RNA)
where:
Base-Base interactions energy: -168.930
where: short stacking energy: -81.514
Base-Backbone interact. energy: -0.161
local terms energy: -81.934221
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -1.941
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -247.387794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.387794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.387794 (E_RNA)
where:
Base-Base interactions energy: -160.676
where: short stacking energy: -60.077
Base-Backbone interact. energy: -0.463
local terms energy: -86.248364
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -231.565868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.565868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.565868 (E_RNA)
where:
Base-Base interactions energy: -153.626
where: short stacking energy: -77.750
Base-Backbone interact. energy: 1.080
local terms energy: -79.020054
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -110.040199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.040199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.040199 (E_RNA)
where:
Base-Base interactions energy: -31.761
where: short stacking energy: -23.097
Base-Backbone interact. energy: -0.368
local terms energy: -77.911949
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -332.486093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.486093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.486093 (E_RNA)
where:
Base-Base interactions energy: -217.289
where: short stacking energy: -100.249
Base-Backbone interact. energy: -0.336
local terms energy: -114.860697
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -21.726
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -360.009434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.009434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.009434 (E_RNA)
where:
Base-Base interactions energy: -247.367
where: short stacking energy: -107.233
Base-Backbone interact. energy: -0.179
local terms energy: -112.463988
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -34.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -326.744341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.744341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.744341 (E_RNA)
where:
Base-Base interactions energy: -230.509
where: short stacking energy: -99.407
Base-Backbone interact. energy: -0.027
local terms energy: -96.207384
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -22.478
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -308.710374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.710374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.710374 (E_RNA)
where:
Base-Base interactions energy: -214.053
where: short stacking energy: -89.931
Base-Backbone interact. energy: -0.579
local terms energy: -94.078814
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -23.706
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -18.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -268.339874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.339874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.339874 (E_RNA)
where:
Base-Base interactions energy: -176.566
where: short stacking energy: -79.840
Base-Backbone interact. energy: -0.785
local terms energy: -90.989326
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -21.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -286.343187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.343187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.343187 (E_RNA)
where:
Base-Base interactions energy: -187.810
where: short stacking energy: -86.867
Base-Backbone interact. energy: -0.138
local terms energy: -98.394847
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -23.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -261.386013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.386013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.386013 (E_RNA)
where:
Base-Base interactions energy: -173.211
where: short stacking energy: -76.814
Base-Backbone interact. energy: -0.379
local terms energy: -87.795438
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -209.976587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.976587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.976587 (E_RNA)
where:
Base-Base interactions energy: -127.149
where: short stacking energy: -65.967
Base-Backbone interact. energy: -0.308
local terms energy: -82.519108
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -11.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -233.157767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.157767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.157767 (E_RNA)
where:
Base-Base interactions energy: -151.630
where: short stacking energy: -68.731
Base-Backbone interact. energy: 1.529
local terms energy: -83.056746
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -14.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -107.373667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.373667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.373667 (E_RNA)
where:
Base-Base interactions energy: -33.355
where: short stacking energy: -35.055
Base-Backbone interact. energy: -0.297
local terms energy: -73.721298
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: 0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -372.217412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.217412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.217412 (E_RNA)
where:
Base-Base interactions energy: -251.410
where: short stacking energy: -114.779
Base-Backbone interact. energy: -0.062
local terms energy: -120.744653
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -24.265
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -34.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -323.257263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.257263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.257263 (E_RNA)
where:
Base-Base interactions energy: -214.310
where: short stacking energy: -94.316
Base-Backbone interact. energy: -1.168
local terms energy: -107.779276
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -311.030324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.030324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.030324 (E_RNA)
where:
Base-Base interactions energy: -213.716
where: short stacking energy: -101.416
Base-Backbone interact. energy: -0.280
local terms energy: -97.034685
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -24.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -315.675183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.675183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.675183 (E_RNA)
where:
Base-Base interactions energy: -217.074
where: short stacking energy: -93.853
Base-Backbone interact. energy: -0.365
local terms energy: -98.235416
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -24.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -289.130501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.130501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.130501 (E_RNA)
where:
Base-Base interactions energy: -189.392
where: short stacking energy: -91.280
Base-Backbone interact. energy: -1.886
local terms energy: -97.852029
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -261.942361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.942361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.942361 (E_RNA)
where:
Base-Base interactions energy: -166.075
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.514
local terms energy: -95.353007
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -266.741686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.741686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.741686 (E_RNA)
where:
Base-Base interactions energy: -174.184
where: short stacking energy: -85.515
Base-Backbone interact. energy: -0.252
local terms energy: -92.305750
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -234.233349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.233349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.233349 (E_RNA)
where:
Base-Base interactions energy: -142.880
where: short stacking energy: -60.271
Base-Backbone interact. energy: -0.127
local terms energy: -91.226061
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -236.805758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.805758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.805758 (E_RNA)
where:
Base-Base interactions energy: -154.690
where: short stacking energy: -71.314
Base-Backbone interact. energy: -0.444
local terms energy: -81.671901
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -105.987505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.987505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.987505 (E_RNA)
where:
Base-Base interactions energy: -42.034
where: short stacking energy: -25.997
Base-Backbone interact. energy: -0.962
local terms energy: -62.991445
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: 7.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -371.928607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.928607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.928607 (E_RNA)
where:
Base-Base interactions energy: -254.016
where: short stacking energy: -114.859
Base-Backbone interact. energy: -0.019
local terms energy: -117.893463
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -25.935
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -34.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -320.912086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.912086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.912086 (E_RNA)
where:
Base-Base interactions energy: -209.926
where: short stacking energy: -103.158
Base-Backbone interact. energy: -0.585
local terms energy: -110.401330
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -29.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -319.601134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.601134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.601134 (E_RNA)
where:
Base-Base interactions energy: -222.736
where: short stacking energy: -91.760
Base-Backbone interact. energy: -0.828
local terms energy: -96.036588
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -23.979
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -328.598960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.598960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.598960 (E_RNA)
where:
Base-Base interactions energy: -228.720
where: short stacking energy: -89.715
Base-Backbone interact. energy: -0.555
local terms energy: -99.324131
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -28.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -288.056721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.056721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.056721 (E_RNA)
where:
Base-Base interactions energy: -186.917
where: short stacking energy: -87.268
Base-Backbone interact. energy: -0.091
local terms energy: -101.049285
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -270.433001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.433001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.433001 (E_RNA)
where:
Base-Base interactions energy: -176.132
where: short stacking energy: -84.011
Base-Backbone interact. energy: -0.536
local terms energy: -93.765864
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -257.783195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.783195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.783195 (E_RNA)
where:
Base-Base interactions energy: -163.614
where: short stacking energy: -61.717
Base-Backbone interact. energy: -0.235
local terms energy: -93.934380
where:
bonds (distance) C4'-P energy: -24.852
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -237.225917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.225917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.225917 (E_RNA)
where:
Base-Base interactions energy: -156.964
where: short stacking energy: -68.453
Base-Backbone interact. energy: -1.539
local terms energy: -78.723167
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -20.306
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -206.842136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.842136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.842136 (E_RNA)
where:
Base-Base interactions energy: -131.675
where: short stacking energy: -55.182
Base-Backbone interact. energy: -0.965
local terms energy: -74.202750
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -11.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -108.957738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.957738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.957738 (E_RNA)
where:
Base-Base interactions energy: -42.632
where: short stacking energy: -42.317
Base-Backbone interact. energy: -0.799
local terms energy: -65.526603
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: 1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -372.075183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.075183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.075183 (E_RNA)
where:
Base-Base interactions energy: -250.625
where: short stacking energy: -111.553
Base-Backbone interact. energy: -0.114
local terms energy: -121.336127
where:
bonds (distance) C4'-P energy: -21.958
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -34.109
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: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -321.970385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.970385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.970385 (E_RNA)
where:
Base-Base interactions energy: -213.599
where: short stacking energy: -105.651
Base-Backbone interact. energy: -0.007
local terms energy: -108.364576
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -29.837
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: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -325.759133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.759133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.759133 (E_RNA)
where:
Base-Base interactions energy: -225.230
where: short stacking energy: -93.268
Base-Backbone interact. energy: -0.441
local terms energy: -100.087634
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -24.364
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -24.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -303.968762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.968762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.968762 (E_RNA)
where:
Base-Base interactions energy: -200.363
where: short stacking energy: -91.127
Base-Backbone interact. energy: -0.220
local terms energy: -103.386152
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -24.312
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -285.016833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.016833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.016833 (E_RNA)
where:
Base-Base interactions energy: -188.672
where: short stacking energy: -64.211
Base-Backbone interact. energy: -0.517
local terms energy: -95.828008
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -260.285306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.285306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.285306 (E_RNA)
where:
Base-Base interactions energy: -159.689
where: short stacking energy: -72.983
Base-Backbone interact. energy: -0.731
local terms energy: -99.865213
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -24.394
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -231.875869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.875869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.875869 (E_RNA)
where:
Base-Base interactions energy: -147.919
where: short stacking energy: -57.464
Base-Backbone interact. energy: 0.697
local terms energy: -84.653541
where:
bonds (distance) C4'-P energy: -22.233
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -247.966233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.966233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.966233 (E_RNA)
where:
Base-Base interactions energy: -162.607
where: short stacking energy: -70.388
Base-Backbone interact. energy: -0.492
local terms energy: -84.866800
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -10.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -202.506695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.506695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.506695 (E_RNA)
where:
Base-Base interactions energy: -118.049
where: short stacking energy: -53.324
Base-Backbone interact. energy: -0.279
local terms energy: -84.178684
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -107.398581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.398581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.398581 (E_RNA)
where:
Base-Base interactions energy: -35.021
where: short stacking energy: -24.784
Base-Backbone interact. energy: -0.422
local terms energy: -71.955573
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: 0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -370.196501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.196501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.196501 (E_RNA)
where:
Base-Base interactions energy: -246.837
where: short stacking energy: -113.385
Base-Backbone interact. energy: -0.132
local terms energy: -123.227636
where:
bonds (distance) C4'-P energy: -22.837
bonds (distance) P-C4' energy: -23.066
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -33.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -313.003446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.003446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.003446 (E_RNA)
where:
Base-Base interactions energy: -197.073
where: short stacking energy: -95.954
Base-Backbone interact. energy: -0.007
local terms energy: -115.922991
where:
bonds (distance) C4'-P energy: -27.053
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -23.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -332.256954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.256954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.256954 (E_RNA)
where:
Base-Base interactions energy: -222.896
where: short stacking energy: -98.552
Base-Backbone interact. energy: -1.236
local terms energy: -108.125306
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -24.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -310.510264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.510264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.510264 (E_RNA)
where:
Base-Base interactions energy: -203.142
where: short stacking energy: -99.134
Base-Backbone interact. energy: -0.181
local terms energy: -107.186800
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -31.699
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: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -274.201418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.201418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.201418 (E_RNA)
where:
Base-Base interactions energy: -181.334
where: short stacking energy: -76.724
Base-Backbone interact. energy: -0.489
local terms energy: -92.378798
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -291.215434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.215434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.215434 (E_RNA)
where:
Base-Base interactions energy: -185.506
where: short stacking energy: -86.400
Base-Backbone interact. energy: -0.072
local terms energy: -105.636972
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -24.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -279.159099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.159099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.159099 (E_RNA)
where:
Base-Base interactions energy: -185.459
where: short stacking energy: -80.856
Base-Backbone interact. energy: -0.106
local terms energy: -93.593790
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -22.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -215.620994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.620994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.620994 (E_RNA)
where:
Base-Base interactions energy: -133.482
where: short stacking energy: -67.695
Base-Backbone interact. energy: -0.319
local terms energy: -81.819305
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -205.039981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.039981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.039981 (E_RNA)
where:
Base-Base interactions energy: -136.187
where: short stacking energy: -65.066
Base-Backbone interact. energy: -0.030
local terms energy: -68.823015
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -6.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -115.677818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.677818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.677818 (E_RNA)
where:
Base-Base interactions energy: -43.658
where: short stacking energy: -37.794
Base-Backbone interact. energy: -0.342
local terms energy: -71.677727
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -6.751
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: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -373.187401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.187401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.187401 (E_RNA)
where:
Base-Base interactions energy: -251.696
where: short stacking energy: -112.170
Base-Backbone interact. energy: -0.207
local terms energy: -121.284637
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -34.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -304.478443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.478443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.478443 (E_RNA)
where:
Base-Base interactions energy: -194.214
where: short stacking energy: -95.973
Base-Backbone interact. energy: -0.004
local terms energy: -110.259938
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -26.245
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -26.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -340.009718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.009718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.009718 (E_RNA)
where:
Base-Base interactions energy: -224.878
where: short stacking energy: -86.338
Base-Backbone interact. energy: -0.430
local terms energy: -114.701702
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -28.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -285.772557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.772557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.772557 (E_RNA)
where:
Base-Base interactions energy: -179.511
where: short stacking energy: -94.963
Base-Backbone interact. energy: -0.616
local terms energy: -105.645358
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -281.478548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.478548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.478548 (E_RNA)
where:
Base-Base interactions energy: -187.860
where: short stacking energy: -68.595
Base-Backbone interact. energy: 0.564
local terms energy: -94.182834
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -280.991387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.991387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.991387 (E_RNA)
where:
Base-Base interactions energy: -186.637
where: short stacking energy: -73.570
Base-Backbone interact. energy: -0.761
local terms energy: -93.594298
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -231.588570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.588570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.588570 (E_RNA)
where:
Base-Base interactions energy: -132.957
where: short stacking energy: -68.778
Base-Backbone interact. energy: -0.114
local terms energy: -98.517028
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -248.859147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.859147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.859147 (E_RNA)
where:
Base-Base interactions energy: -153.974
where: short stacking energy: -65.830
Base-Backbone interact. energy: 0.085
local terms energy: -94.971123
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -16.322
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -194.401116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.401116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.401116 (E_RNA)
where:
Base-Base interactions energy: -113.771
where: short stacking energy: -52.213
Base-Backbone interact. energy: 1.286
local terms energy: -81.916046
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -107.019933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.019933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.019933 (E_RNA)
where:
Base-Base interactions energy: -31.880
where: short stacking energy: -27.719
Base-Backbone interact. energy: 1.406
local terms energy: -76.545478
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -371.162112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.162112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.162112 (E_RNA)
where:
Base-Base interactions energy: -247.828
where: short stacking energy: -111.835
Base-Backbone interact. energy: -0.088
local terms energy: -123.245929
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -37.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -342.550106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.550106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.550106 (E_RNA)
where:
Base-Base interactions energy: -231.812
where: short stacking energy: -92.969
Base-Backbone interact. energy: -0.358
local terms energy: -110.379826
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -25.850
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: 197
Temperature: 1.000000
Total energy: -308.141616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.141616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.141616 (E_RNA)
where:
Base-Base interactions energy: -199.220
where: short stacking energy: -83.759
Base-Backbone interact. energy: -0.013
local terms energy: -108.908841
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -25.642
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -27.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -309.621021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.621021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.621021 (E_RNA)
where:
Base-Base interactions energy: -211.610
where: short stacking energy: -89.135
Base-Backbone interact. energy: -1.085
local terms energy: -96.925746
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -21.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -284.477165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.477165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.477165 (E_RNA)
where:
Base-Base interactions energy: -179.673
where: short stacking energy: -88.952
Base-Backbone interact. energy: -1.142
local terms energy: -103.662186
where:
bonds (distance) C4'-P energy: -21.415
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -25.971
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -281.463994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.463994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.463994 (E_RNA)
where:
Base-Base interactions energy: -189.152
where: short stacking energy: -84.563
Base-Backbone interact. energy: 1.697
local terms energy: -94.008970
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -262.854603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.854603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.854603 (E_RNA)
where:
Base-Base interactions energy: -175.671
where: short stacking energy: -81.106
Base-Backbone interact. energy: -0.222
local terms energy: -86.961481
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -237.117820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.117820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.117820 (E_RNA)
where:
Base-Base interactions energy: -146.951
where: short stacking energy: -80.967
Base-Backbone interact. energy: -0.064
local terms energy: -90.102239
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -21.682
flat angles P-C4'-P energy: -18.214
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -214.387562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.387562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.387562 (E_RNA)
where:
Base-Base interactions energy: -136.493
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.816
local terms energy: -77.078503
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -110.025140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.025140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.025140 (E_RNA)
where:
Base-Base interactions energy: -55.146
where: short stacking energy: -27.737
Base-Backbone interact. energy: -0.864
local terms energy: -54.015729
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -370.152528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.152528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.152528 (E_RNA)
where:
Base-Base interactions energy: -248.692
where: short stacking energy: -112.557
Base-Backbone interact. energy: -0.023
local terms energy: -121.436888
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -32.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -341.939357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.939357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.939357 (E_RNA)
where:
Base-Base interactions energy: -238.615
where: short stacking energy: -100.178
Base-Backbone interact. energy: 0.659
local terms energy: -103.982971
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -23.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -310.461148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.461148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.461148 (E_RNA)
where:
Base-Base interactions energy: -210.486
where: short stacking energy: -97.697
Base-Backbone interact. energy: -0.384
local terms energy: -99.590675
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -23.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -312.311403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.311403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.311403 (E_RNA)
where:
Base-Base interactions energy: -209.298
where: short stacking energy: -93.623
Base-Backbone interact. energy: 0.481
local terms energy: -103.494322
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -24.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -282.337283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.337283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.337283 (E_RNA)
where:
Base-Base interactions energy: -192.159
where: short stacking energy: -74.049
Base-Backbone interact. energy: -0.014
local terms energy: -90.164673
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -279.919866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.919866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.919866 (E_RNA)
where:
Base-Base interactions energy: -193.225
where: short stacking energy: -75.113
Base-Backbone interact. energy: 0.477
local terms energy: -87.171868
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -269.701355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.701355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.701355 (E_RNA)
where:
Base-Base interactions energy: -170.084
where: short stacking energy: -83.587
Base-Backbone interact. energy: -0.212
local terms energy: -99.405128
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -235.926896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.926896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.926896 (E_RNA)
where:
Base-Base interactions energy: -152.846
where: short stacking energy: -69.649
Base-Backbone interact. energy: -0.537
local terms energy: -82.543441
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -181.506317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.506317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.506317 (E_RNA)
where:
Base-Base interactions energy: -97.851
where: short stacking energy: -46.057
Base-Backbone interact. energy: -0.145
local terms energy: -83.510817
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -118.612606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.612606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.612606 (E_RNA)
where:
Base-Base interactions energy: -50.417
where: short stacking energy: -50.242
Base-Backbone interact. energy: -0.179
local terms energy: -68.016492
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -372.114817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.114817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.114817 (E_RNA)
where:
Base-Base interactions energy: -253.954
where: short stacking energy: -111.106
Base-Backbone interact. energy: -0.048
local terms energy: -118.113304
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -31.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -343.183939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.183939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.183939 (E_RNA)
where:
Base-Base interactions energy: -230.575
where: short stacking energy: -95.240
Base-Backbone interact. energy: -0.638
local terms energy: -111.970524
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -30.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -296.834428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.834428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.834428 (E_RNA)
where:
Base-Base interactions energy: -196.434
where: short stacking energy: -94.212
Base-Backbone interact. energy: -0.065
local terms energy: -100.335378
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -26.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -296.446680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.446680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.446680 (E_RNA)
where:
Base-Base interactions energy: -185.899
where: short stacking energy: -78.760
Base-Backbone interact. energy: 2.019
local terms energy: -112.566894
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -25.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -295.276090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.276090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.276090 (E_RNA)
where:
Base-Base interactions energy: -195.615
where: short stacking energy: -81.162
Base-Backbone interact. energy: -0.711
local terms energy: -98.949832
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -22.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -274.276881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.276881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.276881 (E_RNA)
where:
Base-Base interactions energy: -194.699
where: short stacking energy: -76.894
Base-Backbone interact. energy: -0.176
local terms energy: -79.402104
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -260.517983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.517983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.517983 (E_RNA)
where:
Base-Base interactions energy: -163.550
where: short stacking energy: -83.086
Base-Backbone interact. energy: 0.095
local terms energy: -97.062236
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -235.416828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.416828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.416828 (E_RNA)
where:
Base-Base interactions energy: -146.646
where: short stacking energy: -69.754
Base-Backbone interact. energy: -0.107
local terms energy: -88.664561
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -209.981088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.981088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.981088 (E_RNA)
where:
Base-Base interactions energy: -123.716
where: short stacking energy: -66.437
Base-Backbone interact. energy: -0.182
local terms energy: -86.083489
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -113.010430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.010430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.010430 (E_RNA)
where:
Base-Base interactions energy: -45.590
where: short stacking energy: -23.753
Base-Backbone interact. energy: 2.445
local terms energy: -69.865524
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -16.048
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: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -377.542292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.542292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.542292 (E_RNA)
where:
Base-Base interactions energy: -248.328
where: short stacking energy: -107.742
Base-Backbone interact. energy: -0.040
local terms energy: -129.174682
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -34.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -343.458503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.458503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.458503 (E_RNA)
where:
Base-Base interactions energy: -238.064
where: short stacking energy: -89.794
Base-Backbone interact. energy: 0.942
local terms energy: -106.336274
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -22.939
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -22.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -300.190879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.190879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.190879 (E_RNA)
where:
Base-Base interactions energy: -202.055
where: short stacking energy: -87.223
Base-Backbone interact. energy: 0.574
local terms energy: -98.710790
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -282.259609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.259609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.259609 (E_RNA)
where:
Base-Base interactions energy: -175.594
where: short stacking energy: -82.410
Base-Backbone interact. energy: -0.338
local terms energy: -106.326886
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -265.720398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.720398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.720398 (E_RNA)
where:
Base-Base interactions energy: -164.197
where: short stacking energy: -82.802
Base-Backbone interact. energy: -0.296
local terms energy: -101.227986
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -25.961
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -25.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -263.436785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.436785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.436785 (E_RNA)
where:
Base-Base interactions energy: -164.091
where: short stacking energy: -78.827
Base-Backbone interact. energy: -0.830
local terms energy: -98.516219
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -18.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -254.188146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.188146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.188146 (E_RNA)
where:
Base-Base interactions energy: -158.975
where: short stacking energy: -73.010
Base-Backbone interact. energy: 0.131
local terms energy: -95.343879
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -229.061196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.061196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.061196 (E_RNA)
where:
Base-Base interactions energy: -143.494
where: short stacking energy: -67.751
Base-Backbone interact. energy: -1.139
local terms energy: -84.427320
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -249.676731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.676731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.676731 (E_RNA)
where:
Base-Base interactions energy: -159.380
where: short stacking energy: -74.658
Base-Backbone interact. energy: -0.083
local terms energy: -90.213865
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -102.094609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.094609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.094609 (E_RNA)
where:
Base-Base interactions energy: -37.690
where: short stacking energy: -29.114
Base-Backbone interact. energy: -0.404
local terms energy: -64.000294
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: 3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -366.702899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.702899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.702899 (E_RNA)
where:
Base-Base interactions energy: -249.533
where: short stacking energy: -103.930
Base-Backbone interact. energy: -0.012
local terms energy: -117.158039
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -25.701
flat angles C4'-P-C4' energy: -26.061
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -31.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -331.157361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.157361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.157361 (E_RNA)
where:
Base-Base interactions energy: -225.761
where: short stacking energy: -83.881
Base-Backbone interact. energy: -0.360
local terms energy: -105.036010
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -22.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -309.709896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.709896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.709896 (E_RNA)
where:
Base-Base interactions energy: -197.713
where: short stacking energy: -100.212
Base-Backbone interact. energy: -0.172
local terms energy: -111.824765
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -31.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -286.548727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.548727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.548727 (E_RNA)
where:
Base-Base interactions energy: -179.795
where: short stacking energy: -82.129
Base-Backbone interact. energy: -0.727
local terms energy: -106.026719
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -265.691494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.691494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.691494 (E_RNA)
where:
Base-Base interactions energy: -173.246
where: short stacking energy: -77.294
Base-Backbone interact. energy: -0.058
local terms energy: -92.386747
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -277.044190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.044190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.044190 (E_RNA)
where:
Base-Base interactions energy: -178.158
where: short stacking energy: -85.382
Base-Backbone interact. energy: -0.381
local terms energy: -98.505583
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -23.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -242.767455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.767455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.767455 (E_RNA)
where:
Base-Base interactions energy: -155.049
where: short stacking energy: -68.492
Base-Backbone interact. energy: 0.109
local terms energy: -87.827397
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -26.403
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -11.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -248.531781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.531781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.531781 (E_RNA)
where:
Base-Base interactions energy: -167.434
where: short stacking energy: -75.249
Base-Backbone interact. energy: -0.137
local terms energy: -80.960775
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -13.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -220.915569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.915569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.915569 (E_RNA)
where:
Base-Base interactions energy: -130.163
where: short stacking energy: -57.272
Base-Backbone interact. energy: -0.160
local terms energy: -90.592749
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -108.795392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.795392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.795392 (E_RNA)
where:
Base-Base interactions energy: -49.596
where: short stacking energy: -34.569
Base-Backbone interact. energy: -0.115
local terms energy: -59.083772
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: 2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -364.758438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.758438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.758438 (E_RNA)
where:
Base-Base interactions energy: -254.318
where: short stacking energy: -111.884
Base-Backbone interact. energy: -0.170
local terms energy: -110.270812
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -32.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -338.641667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.641667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.641667 (E_RNA)
where:
Base-Base interactions energy: -231.545
where: short stacking energy: -106.873
Base-Backbone interact. energy: 0.994
local terms energy: -108.090854
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -27.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -303.692443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.692443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.692443 (E_RNA)
where:
Base-Base interactions energy: -195.669
where: short stacking energy: -84.168
Base-Backbone interact. energy: -0.604
local terms energy: -107.419529
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -23.838
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -21.757
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: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -278.104006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.104006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.104006 (E_RNA)
where:
Base-Base interactions energy: -175.493
where: short stacking energy: -84.222
Base-Backbone interact. energy: -0.163
local terms energy: -102.447562
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -25.755
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -23.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -287.474306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.474306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.474306 (E_RNA)
where:
Base-Base interactions energy: -185.931
where: short stacking energy: -81.992
Base-Backbone interact. energy: -0.028
local terms energy: -101.515174
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -26.244
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -262.188073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.188073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.188073 (E_RNA)
where:
Base-Base interactions energy: -168.871
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.069
local terms energy: -93.248382
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -10.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -273.114145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.114145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.114145 (E_RNA)
where:
Base-Base interactions energy: -181.976
where: short stacking energy: -80.234
Base-Backbone interact. energy: -1.046
local terms energy: -90.091726
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -246.364301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.364301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.364301 (E_RNA)
where:
Base-Base interactions energy: -149.408
where: short stacking energy: -68.532
Base-Backbone interact. energy: -0.107
local terms energy: -96.848799
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -14.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -185.072191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.072191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.072191 (E_RNA)
where:
Base-Base interactions energy: -103.445
where: short stacking energy: -45.735
Base-Backbone interact. energy: -0.168
local terms energy: -81.459162
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -108.341246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.341246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.341246 (E_RNA)
where:
Base-Base interactions energy: -34.170
where: short stacking energy: -30.137
Base-Backbone interact. energy: -0.268
local terms energy: -73.903147
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -23.950
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -4.322
tors. eta vs tors. theta energy: -1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -379.187098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.187098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.187098 (E_RNA)
where:
Base-Base interactions energy: -259.789
where: short stacking energy: -111.202
Base-Backbone interact. energy: 0.139
local terms energy: -119.537223
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -33.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -341.589798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.589798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.589798 (E_RNA)
where:
Base-Base interactions energy: -237.940
where: short stacking energy: -93.240
Base-Backbone interact. energy: -0.321
local terms energy: -103.329443
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -29.747
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: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -294.122195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.122195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.122195 (E_RNA)
where:
Base-Base interactions energy: -193.183
where: short stacking energy: -87.261
Base-Backbone interact. energy: 0.556
local terms energy: -101.494894
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -25.045
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: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -273.641850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.641850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.641850 (E_RNA)
where:
Base-Base interactions energy: -166.745
where: short stacking energy: -78.439
Base-Backbone interact. energy: -0.661
local terms energy: -106.235530
where:
bonds (distance) C4'-P energy: -22.726
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -263.668461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.668461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.668461 (E_RNA)
where:
Base-Base interactions energy: -166.927
where: short stacking energy: -76.651
Base-Backbone interact. energy: 0.380
local terms energy: -97.121658
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -263.553845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.553845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.553845 (E_RNA)
where:
Base-Base interactions energy: -169.998
where: short stacking energy: -77.741
Base-Backbone interact. energy: -0.285
local terms energy: -93.270648
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -249.291626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.291626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.291626 (E_RNA)
where:
Base-Base interactions energy: -158.743
where: short stacking energy: -79.860
Base-Backbone interact. energy: 0.120
local terms energy: -90.668658
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -250.186005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.186005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.186005 (E_RNA)
where:
Base-Base interactions energy: -161.126
where: short stacking energy: -68.593
Base-Backbone interact. energy: -0.680
local terms energy: -88.379411
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -186.077125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.077125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.077125 (E_RNA)
where:
Base-Base interactions energy: -112.977
where: short stacking energy: -53.718
Base-Backbone interact. energy: -0.302
local terms energy: -72.798719
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -105.179225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.179225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.179225 (E_RNA)
where:
Base-Base interactions energy: -34.103
where: short stacking energy: -33.343
Base-Backbone interact. energy: -0.154
local terms energy: -70.922218
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: 0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -371.049498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.049498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.049498 (E_RNA)
where:
Base-Base interactions energy: -254.191
where: short stacking energy: -108.098
Base-Backbone interact. energy: -0.072
local terms energy: -116.786773
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -35.005
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: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -330.259945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.259945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.259945 (E_RNA)
where:
Base-Base interactions energy: -220.349
where: short stacking energy: -86.865
Base-Backbone interact. energy: 0.333
local terms energy: -110.244050
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -24.301
flat angles C4'-P-C4' energy: -24.604
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -24.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -297.221645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.221645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.221645 (E_RNA)
where:
Base-Base interactions energy: -186.272
where: short stacking energy: -85.485
Base-Backbone interact. energy: -0.488
local terms energy: -110.460969
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -22.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -271.589941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.589941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.589941 (E_RNA)
where:
Base-Base interactions energy: -179.938
where: short stacking energy: -88.190
Base-Backbone interact. energy: -0.173
local terms energy: -91.479079
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -275.196138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.196138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.196138 (E_RNA)
where:
Base-Base interactions energy: -181.307
where: short stacking energy: -73.274
Base-Backbone interact. energy: -0.223
local terms energy: -93.665622
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -17.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -268.671665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.671665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.671665 (E_RNA)
where:
Base-Base interactions energy: -170.945
where: short stacking energy: -88.196
Base-Backbone interact. energy: -0.139
local terms energy: -97.588203
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -24.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -250.477421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.477421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.477421 (E_RNA)
where:
Base-Base interactions energy: -156.854
where: short stacking energy: -69.536
Base-Backbone interact. energy: -0.123
local terms energy: -93.500428
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -18.597
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -245.559981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.559981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.559981 (E_RNA)
where:
Base-Base interactions energy: -164.746
where: short stacking energy: -79.074
Base-Backbone interact. energy: -0.214
local terms energy: -80.599583
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -203.008193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.008193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.008193 (E_RNA)
where:
Base-Base interactions energy: -128.357
where: short stacking energy: -65.738
Base-Backbone interact. energy: -1.534
local terms energy: -73.117470
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -13.119
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: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -101.645452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.645452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.645452 (E_RNA)
where:
Base-Base interactions energy: -35.446
where: short stacking energy: -31.753
Base-Backbone interact. energy: 1.053
local terms energy: -67.251970
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: 1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -375.396996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.396996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.396996 (E_RNA)
where:
Base-Base interactions energy: -246.462
where: short stacking energy: -111.341
Base-Backbone interact. energy: 0.974
local terms energy: -129.909666
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -26.862
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -16.756
tors. eta vs tors. theta energy: -33.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -316.362314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.362314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.362314 (E_RNA)
where:
Base-Base interactions energy: -217.605
where: short stacking energy: -96.854
Base-Backbone interact. energy: -0.316
local terms energy: -98.441738
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -294.852100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.852100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.852100 (E_RNA)
where:
Base-Base interactions energy: -194.327
where: short stacking energy: -87.400
Base-Backbone interact. energy: -0.216
local terms energy: -100.309021
where:
bonds (distance) C4'-P energy: -22.062
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -22.986
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: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -299.267785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.267785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.267785 (E_RNA)
where:
Base-Base interactions energy: -204.613
where: short stacking energy: -84.577
Base-Backbone interact. energy: 0.365
local terms energy: -95.020369
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -288.968341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.968341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.968341 (E_RNA)
where:
Base-Base interactions energy: -184.009
where: short stacking energy: -90.859
Base-Backbone interact. energy: -0.596
local terms energy: -104.363652
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -19.358
tors. eta vs tors. theta energy: -27.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -252.381094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.381094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.381094 (E_RNA)
where:
Base-Base interactions energy: -167.668
where: short stacking energy: -85.029
Base-Backbone interact. energy: -0.253
local terms energy: -84.459518
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -11.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -265.617750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.617750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.617750 (E_RNA)
where:
Base-Base interactions energy: -181.643
where: short stacking energy: -75.260
Base-Backbone interact. energy: -0.495
local terms energy: -83.480266
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -255.121787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.121787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.121787 (E_RNA)
where:
Base-Base interactions energy: -165.371
where: short stacking energy: -77.479
Base-Backbone interact. energy: -0.150
local terms energy: -89.600246
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -227.040291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.040291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.040291 (E_RNA)
where:
Base-Base interactions energy: -145.471
where: short stacking energy: -67.227
Base-Backbone interact. energy: -0.435
local terms energy: -81.134640
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -110.320821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.320821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.320821 (E_RNA)
where:
Base-Base interactions energy: -40.518
where: short stacking energy: -29.789
Base-Backbone interact. energy: -0.174
local terms energy: -69.628728
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -367.137300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.137300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.137300 (E_RNA)
where:
Base-Base interactions energy: -246.856
where: short stacking energy: -111.111
Base-Backbone interact. energy: -0.117
local terms energy: -120.165148
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -26.402
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -34.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -336.367004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.367004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.367004 (E_RNA)
where:
Base-Base interactions energy: -230.857
where: short stacking energy: -99.406
Base-Backbone interact. energy: -0.558
local terms energy: -104.952330
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -20.098
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -28.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -291.778176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.778176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.778176 (E_RNA)
where:
Base-Base interactions energy: -195.760
where: short stacking energy: -86.081
Base-Backbone interact. energy: -0.145
local terms energy: -95.873709
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -293.965312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.965312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.965312 (E_RNA)
where:
Base-Base interactions energy: -198.893
where: short stacking energy: -86.292
Base-Backbone interact. energy: -1.584
local terms energy: -93.487464
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -273.835332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.835332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.835332 (E_RNA)
where:
Base-Base interactions energy: -182.146
where: short stacking energy: -89.408
Base-Backbone interact. energy: -0.152
local terms energy: -91.536726
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -21.525
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -266.186940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.186940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.186940 (E_RNA)
where:
Base-Base interactions energy: -165.522
where: short stacking energy: -73.885
Base-Backbone interact. energy: -0.034
local terms energy: -100.630614
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -239.253114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.253114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.253114 (E_RNA)
where:
Base-Base interactions energy: -155.615
where: short stacking energy: -75.864
Base-Backbone interact. energy: -0.092
local terms energy: -83.546386
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -18.808
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: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -254.827410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.827410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.827410 (E_RNA)
where:
Base-Base interactions energy: -169.022
where: short stacking energy: -70.515
Base-Backbone interact. energy: -0.241
local terms energy: -85.564526
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -11.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -190.058877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.058877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.058877 (E_RNA)
where:
Base-Base interactions energy: -110.624
where: short stacking energy: -56.472
Base-Backbone interact. energy: -0.909
local terms energy: -78.525967
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -12.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -116.758249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.758249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.758249 (E_RNA)
where:
Base-Base interactions energy: -41.464
where: short stacking energy: -37.559
Base-Backbone interact. energy: -0.078
local terms energy: -75.216116
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -374.739182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.739182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.739182 (E_RNA)
where:
Base-Base interactions energy: -251.064
where: short stacking energy: -115.151
Base-Backbone interact. energy: -0.003
local terms energy: -123.672249
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -26.447
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -33.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -347.856124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.856124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.856124 (E_RNA)
where:
Base-Base interactions energy: -232.029
where: short stacking energy: -107.732
Base-Backbone interact. energy: -0.262
local terms energy: -115.564974
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -29.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -289.124824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.124824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.124824 (E_RNA)
where:
Base-Base interactions energy: -191.569
where: short stacking energy: -100.540
Base-Backbone interact. energy: -0.110
local terms energy: -97.445409
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -25.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -286.630542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.630542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.630542 (E_RNA)
where:
Base-Base interactions energy: -179.170
where: short stacking energy: -86.948
Base-Backbone interact. energy: -0.702
local terms energy: -106.759309
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -23.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -281.818704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.818704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.818704 (E_RNA)
where:
Base-Base interactions energy: -187.334
where: short stacking energy: -90.597
Base-Backbone interact. energy: -0.075
local terms energy: -94.409685
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -22.809
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: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -260.770962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.770962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.770962 (E_RNA)
where:
Base-Base interactions energy: -161.156
where: short stacking energy: -69.531
Base-Backbone interact. energy: -0.476
local terms energy: -99.138844
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -255.229622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.229622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.229622 (E_RNA)
where:
Base-Base interactions energy: -165.353
where: short stacking energy: -71.408
Base-Backbone interact. energy: -0.130
local terms energy: -89.745838
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -23.693
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -256.808067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.808067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.808067 (E_RNA)
where:
Base-Base interactions energy: -164.597
where: short stacking energy: -83.474
Base-Backbone interact. energy: 0.758
local terms energy: -92.969265
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -23.581
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -224.263625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.263625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.263625 (E_RNA)
where:
Base-Base interactions energy: -143.685
where: short stacking energy: -72.083
Base-Backbone interact. energy: -0.264
local terms energy: -80.313971
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -97.940743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.940743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.940743 (E_RNA)
where:
Base-Base interactions energy: -35.482
where: short stacking energy: -21.493
Base-Backbone interact. energy: -0.414
local terms energy: -62.044889
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: 4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -347.114424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.114424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.114424 (E_RNA)
where:
Base-Base interactions energy: -236.907
where: short stacking energy: -109.439
Base-Backbone interact. energy: -1.177
local terms energy: -109.030473
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -30.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -370.771853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.771853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.771853 (E_RNA)
where:
Base-Base interactions energy: -240.501
where: short stacking energy: -115.052
Base-Backbone interact. energy: -0.042
local terms energy: -130.228278
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -27.089
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -37.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -316.502403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.502403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.502403 (E_RNA)
where:
Base-Base interactions energy: -206.513
where: short stacking energy: -92.050
Base-Backbone interact. energy: -0.083
local terms energy: -109.905915
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -21.070
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -269.807925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.807925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.807925 (E_RNA)
where:
Base-Base interactions energy: -167.608
where: short stacking energy: -77.733
Base-Backbone interact. energy: -0.097
local terms energy: -102.103318
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -18.290
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -294.759461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.759461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.759461 (E_RNA)
where:
Base-Base interactions energy: -190.184
where: short stacking energy: -83.694
Base-Backbone interact. energy: -0.559
local terms energy: -104.017021
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -22.848
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -23.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -260.315712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.315712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.315712 (E_RNA)
where:
Base-Base interactions energy: -161.505
where: short stacking energy: -74.337
Base-Backbone interact. energy: -0.283
local terms energy: -98.527595
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -247.764316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.764316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.764316 (E_RNA)
where:
Base-Base interactions energy: -161.212
where: short stacking energy: -82.402
Base-Backbone interact. energy: 1.436
local terms energy: -87.988384
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -241.285279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.285279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.285279 (E_RNA)
where:
Base-Base interactions energy: -144.648
where: short stacking energy: -57.465
Base-Backbone interact. energy: -0.137
local terms energy: -96.499898
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -24.175
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -199.194305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.194305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.194305 (E_RNA)
where:
Base-Base interactions energy: -124.746
where: short stacking energy: -58.812
Base-Backbone interact. energy: 0.029
local terms energy: -74.477148
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -10.352
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: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -117.434116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.434116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.434116 (E_RNA)
where:
Base-Base interactions energy: -49.688
where: short stacking energy: -39.732
Base-Backbone interact. energy: 1.863
local terms energy: -69.609721
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -3.136
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -357.316773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.316773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.316773 (E_RNA)
where:
Base-Base interactions energy: -242.659
where: short stacking energy: -98.693
Base-Backbone interact. energy: -1.183
local terms energy: -113.474809
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -32.109
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: 2, replica: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -363.211371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.211371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.211371 (E_RNA)
where:
Base-Base interactions energy: -246.228
where: short stacking energy: -120.955
Base-Backbone interact. energy: -0.018
local terms energy: -116.964931
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -25.003
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -31.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -312.266721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.266721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.266721 (E_RNA)
where:
Base-Base interactions energy: -209.616
where: short stacking energy: -98.669
Base-Backbone interact. energy: -1.112
local terms energy: -101.538287
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -22.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -284.685866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.685866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.685866 (E_RNA)
where:
Base-Base interactions energy: -195.117
where: short stacking energy: -87.674
Base-Backbone interact. energy: -0.254
local terms energy: -89.314785
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -263.648956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.648956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.648956 (E_RNA)
where:
Base-Base interactions energy: -169.272
where: short stacking energy: -85.970
Base-Backbone interact. energy: -0.131
local terms energy: -94.245526
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -18.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -268.046583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.046583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.046583 (E_RNA)
where:
Base-Base interactions energy: -165.886
where: short stacking energy: -74.114
Base-Backbone interact. energy: 1.105
local terms energy: -103.265760
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -23.597
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -24.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -272.796027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.796027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.796027 (E_RNA)
where:
Base-Base interactions energy: -168.299
where: short stacking energy: -82.724
Base-Backbone interact. energy: -0.048
local terms energy: -104.449439
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -21.797
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -30.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -202.876829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.876829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.876829 (E_RNA)
where:
Base-Base interactions energy: -121.305
where: short stacking energy: -48.222
Base-Backbone interact. energy: 2.953
local terms energy: -84.524776
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -222.636864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.636864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.636864 (E_RNA)
where:
Base-Base interactions energy: -138.936
where: short stacking energy: -70.174
Base-Backbone interact. energy: 0.998
local terms energy: -84.698310
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -110.217511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.217511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.217511 (E_RNA)
where:
Base-Base interactions energy: -41.886
where: short stacking energy: -25.489
Base-Backbone interact. energy: -0.193
local terms energy: -68.138447
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: 4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -370.004304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.004304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.004304 (E_RNA)
where:
Base-Base interactions energy: -252.724
where: short stacking energy: -110.840
Base-Backbone interact. energy: -0.032
local terms energy: -117.248198
where:
bonds (distance) C4'-P energy: -20.961
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -29.570
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -32.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -347.634626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.634626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.634626 (E_RNA)
where:
Base-Base interactions energy: -232.744
where: short stacking energy: -84.707
Base-Backbone interact. energy: -2.333
local terms energy: -112.558133
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -21.455
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -28.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -306.252476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.252476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.252476 (E_RNA)
where:
Base-Base interactions energy: -199.558
where: short stacking energy: -90.588
Base-Backbone interact. energy: -1.236
local terms energy: -105.458721
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -268.697072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.697072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.697072 (E_RNA)
where:
Base-Base interactions energy: -174.766
where: short stacking energy: -81.535
Base-Backbone interact. energy: -0.780
local terms energy: -93.150628
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -21.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -272.863194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.863194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.863194 (E_RNA)
where:
Base-Base interactions energy: -179.018
where: short stacking energy: -82.138
Base-Backbone interact. energy: -0.062
local terms energy: -93.783053
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -253.644318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.644318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.644318 (E_RNA)
where:
Base-Base interactions energy: -156.511
where: short stacking energy: -77.809
Base-Backbone interact. energy: -0.385
local terms energy: -96.747793
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -265.684950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.684950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.684950 (E_RNA)
where:
Base-Base interactions energy: -157.394
where: short stacking energy: -82.169
Base-Backbone interact. energy: -0.053
local terms energy: -108.238177
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -26.280
flat angles C4'-P-C4' energy: -25.382
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -25.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -198.130101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.130101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.130101 (E_RNA)
where:
Base-Base interactions energy: -127.046
where: short stacking energy: -53.024
Base-Backbone interact. energy: -0.309
local terms energy: -70.775349
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -115.363084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.363084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.363084 (E_RNA)
where:
Base-Base interactions energy: -57.147
where: short stacking energy: -40.220
Base-Backbone interact. energy: -0.301
local terms energy: -57.915466
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -13.512
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: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -185.782431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.782431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.782431 (E_RNA)
where:
Base-Base interactions energy: -118.116
where: short stacking energy: -47.138
Base-Backbone interact. energy: -0.363
local terms energy: -67.302918
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -367.147722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.147722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.147722 (E_RNA)
where:
Base-Base interactions energy: -248.560
where: short stacking energy: -105.231
Base-Backbone interact. energy: -0.019
local terms energy: -118.568288
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -34.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -343.921479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.921479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.921479 (E_RNA)
where:
Base-Base interactions energy: -224.758
where: short stacking energy: -107.654
Base-Backbone interact. energy: -1.546
local terms energy: -117.618038
where:
bonds (distance) C4'-P energy: -22.381
bonds (distance) P-C4' energy: -24.466
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -33.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -307.367464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.367464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.367464 (E_RNA)
where:
Base-Base interactions energy: -191.765
where: short stacking energy: -102.827
Base-Backbone interact. energy: -0.126
local terms energy: -115.476533
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -17.049
tors. eta vs tors. theta energy: -27.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -293.660604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.660604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.660604 (E_RNA)
where:
Base-Base interactions energy: -192.249
where: short stacking energy: -89.933
Base-Backbone interact. energy: -0.170
local terms energy: -101.241844
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -26.963
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: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -279.434963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.434963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.434963 (E_RNA)
where:
Base-Base interactions energy: -178.252
where: short stacking energy: -96.622
Base-Backbone interact. energy: -0.172
local terms energy: -101.011163
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -269.167256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.167256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.167256 (E_RNA)
where:
Base-Base interactions energy: -173.392
where: short stacking energy: -84.523
Base-Backbone interact. energy: -0.104
local terms energy: -95.671478
where:
bonds (distance) C4'-P energy: -26.524
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -233.501528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.501528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.501528 (E_RNA)
where:
Base-Base interactions energy: -158.621
where: short stacking energy: -75.967
Base-Backbone interact. energy: -1.423
local terms energy: -73.457480
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -112.861082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.861082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.861082 (E_RNA)
where:
Base-Base interactions energy: -36.990
where: short stacking energy: -36.009
Base-Backbone interact. energy: -0.553
local terms energy: -75.317897
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -21.476
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -223.034747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.034747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.034747 (E_RNA)
where:
Base-Base interactions energy: -129.887
where: short stacking energy: -67.493
Base-Backbone interact. energy: -0.013
local terms energy: -93.134307
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -202.184460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.184460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.184460 (E_RNA)
where:
Base-Base interactions energy: -128.977
where: short stacking energy: -62.629
Base-Backbone interact. energy: -0.606
local terms energy: -72.601186
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -10.196
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: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -365.561146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.561146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.561146 (E_RNA)
where:
Base-Base interactions energy: -244.129
where: short stacking energy: -107.013
Base-Backbone interact. energy: -0.248
local terms energy: -121.184297
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -34.603
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: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -356.211143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.211143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.211143 (E_RNA)
where:
Base-Base interactions energy: -248.939
where: short stacking energy: -103.252
Base-Backbone interact. energy: -0.166
local terms energy: -107.105702
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -26.770
flat angles C4'-P-C4' energy: -25.204
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -309.188469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.188469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.188469 (E_RNA)
where:
Base-Base interactions energy: -194.660
where: short stacking energy: -96.399
Base-Backbone interact. energy: -0.002
local terms energy: -114.526589
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -31.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -305.824775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.824775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.824775 (E_RNA)
where:
Base-Base interactions energy: -202.504
where: short stacking energy: -91.189
Base-Backbone interact. energy: -0.241
local terms energy: -103.079257
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -23.402
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: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -259.256308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.256308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.256308 (E_RNA)
where:
Base-Base interactions energy: -157.103
where: short stacking energy: -73.632
Base-Backbone interact. energy: -0.312
local terms energy: -101.840444
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -23.804
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -275.677148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.677148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.677148 (E_RNA)
where:
Base-Base interactions energy: -173.761
where: short stacking energy: -78.771
Base-Backbone interact. energy: -0.194
local terms energy: -101.722289
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -129.329635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.329635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.329635 (E_RNA)
where:
Base-Base interactions energy: -53.206
where: short stacking energy: -53.206
Base-Backbone interact. energy: -0.189
local terms energy: -75.934216
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -198.298370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.298370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.298370 (E_RNA)
where:
Base-Base interactions energy: -121.497
where: short stacking energy: -53.319
Base-Backbone interact. energy: -2.391
local terms energy: -74.410138
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -206.811673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.811673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.811673 (E_RNA)
where:
Base-Base interactions energy: -132.147
where: short stacking energy: -54.468
Base-Backbone interact. energy: 0.927
local terms energy: -75.591307
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -197.925795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.925795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.925795 (E_RNA)
where:
Base-Base interactions energy: -114.808
where: short stacking energy: -58.341
Base-Backbone interact. energy: -0.494
local terms energy: -82.624452
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -368.390972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.390972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.390972 (E_RNA)
where:
Base-Base interactions energy: -250.496
where: short stacking energy: -109.221
Base-Backbone interact. energy: -0.105
local terms energy: -117.789607
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -33.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -343.832798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.832798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.832798 (E_RNA)
where:
Base-Base interactions energy: -224.337
where: short stacking energy: -94.802
Base-Backbone interact. energy: 0.588
local terms energy: -120.083447
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -26.302
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -32.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -295.294312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.294312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.294312 (E_RNA)
where:
Base-Base interactions energy: -174.899
where: short stacking energy: -90.862
Base-Backbone interact. energy: -1.362
local terms energy: -119.033440
where:
bonds (distance) C4'-P energy: -25.303
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -31.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -320.502178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.502178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.502178 (E_RNA)
where:
Base-Base interactions energy: -208.690
where: short stacking energy: -93.637
Base-Backbone interact. energy: -0.263
local terms energy: -111.548803
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -26.031
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -23.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -286.903046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.903046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.903046 (E_RNA)
where:
Base-Base interactions energy: -189.003
where: short stacking energy: -82.603
Base-Backbone interact. energy: -0.230
local terms energy: -97.670389
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -277.284214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.284214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.284214 (E_RNA)
where:
Base-Base interactions energy: -181.079
where: short stacking energy: -75.616
Base-Backbone interact. energy: 1.434
local terms energy: -97.639317
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -24.211
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -200.132325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.132325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.132325 (E_RNA)
where:
Base-Base interactions energy: -109.803
where: short stacking energy: -43.962
Base-Backbone interact. energy: -0.465
local terms energy: -89.864179
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -248.876567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.876567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.876567 (E_RNA)
where:
Base-Base interactions energy: -152.629
where: short stacking energy: -66.042
Base-Backbone interact. energy: -0.023
local terms energy: -96.224610
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -24.374
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -235.445565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.445565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.445565 (E_RNA)
where:
Base-Base interactions energy: -154.437
where: short stacking energy: -56.065
Base-Backbone interact. energy: -0.507
local terms energy: -80.501599
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -197.134284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.134284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.134284 (E_RNA)
where:
Base-Base interactions energy: -129.222
where: short stacking energy: -61.423
Base-Backbone interact. energy: -1.036
local terms energy: -66.875802
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -8.279
flat angles C4'-P-C4' energy: -20.424
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -368.151905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.151905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.151905 (E_RNA)
where:
Base-Base interactions energy: -253.339
where: short stacking energy: -110.442
Base-Backbone interact. energy: -0.237
local terms energy: -114.575795
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -23.902
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -33.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -342.240204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.240204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.240204 (E_RNA)
where:
Base-Base interactions energy: -236.057
where: short stacking energy: -98.383
Base-Backbone interact. energy: -0.869
local terms energy: -105.314248
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -25.848
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -323.820389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.820389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.820389 (E_RNA)
where:
Base-Base interactions energy: -223.524
where: short stacking energy: -97.831
Base-Backbone interact. energy: 1.275
local terms energy: -101.571922
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -24.223
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -22.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -275.042047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.042047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.042047 (E_RNA)
where:
Base-Base interactions energy: -170.111
where: short stacking energy: -79.766
Base-Backbone interact. energy: 1.060
local terms energy: -105.991447
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -25.621
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -16.108
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: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -308.457106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.457106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.457106 (E_RNA)
where:
Base-Base interactions energy: -204.036
where: short stacking energy: -88.031
Base-Backbone interact. energy: -0.785
local terms energy: -103.635664
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -25.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -280.761119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.761119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.761119 (E_RNA)
where:
Base-Base interactions energy: -181.616
where: short stacking energy: -83.486
Base-Backbone interact. energy: -0.203
local terms energy: -98.942157
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -22.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -272.065816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.065816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.065816 (E_RNA)
where:
Base-Base interactions energy: -178.699
where: short stacking energy: -71.877
Base-Backbone interact. energy: -1.176
local terms energy: -92.190734
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -215.432108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.432108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.432108 (E_RNA)
where:
Base-Base interactions energy: -128.997
where: short stacking energy: -61.454
Base-Backbone interact. energy: -0.103
local terms energy: -86.332228
where:
bonds (distance) C4'-P energy: -22.109
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -13.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -226.429637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.429637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.429637 (E_RNA)
where:
Base-Base interactions energy: -136.560
where: short stacking energy: -54.407
Base-Backbone interact. energy: -0.181
local terms energy: -89.688317
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -17.475
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: 10, replica: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -222.492280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.492280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.492280 (E_RNA)
where:
Base-Base interactions energy: -144.142
where: short stacking energy: -61.684
Base-Backbone interact. energy: -0.556
local terms energy: -77.794534
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -377.453147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.453147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.453147 (E_RNA)
where:
Base-Base interactions energy: -249.588
where: short stacking energy: -106.076
Base-Backbone interact. energy: -0.048
local terms energy: -127.817442
where:
bonds (distance) C4'-P energy: -24.021
bonds (distance) P-C4' energy: -27.227
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -32.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -335.111954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.111954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.111954 (E_RNA)
where:
Base-Base interactions energy: -224.573
where: short stacking energy: -91.581
Base-Backbone interact. energy: -0.024
local terms energy: -110.514743
where:
bonds (distance) C4'-P energy: -25.110
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -25.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -346.259935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.259935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.259935 (E_RNA)
where:
Base-Base interactions energy: -235.714
where: short stacking energy: -98.111
Base-Backbone interact. energy: -1.094
local terms energy: -109.452206
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -23.280
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -29.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -335.054137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.054137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.054137 (E_RNA)
where:
Base-Base interactions energy: -227.247
where: short stacking energy: -89.538
Base-Backbone interact. energy: -0.895
local terms energy: -106.912047
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -24.135
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -27.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -282.135289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.135289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.135289 (E_RNA)
where:
Base-Base interactions energy: -193.185
where: short stacking energy: -85.739
Base-Backbone interact. energy: -0.005
local terms energy: -88.945138
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -277.243662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.243662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.243662 (E_RNA)
where:
Base-Base interactions energy: -190.049
where: short stacking energy: -79.614
Base-Backbone interact. energy: -0.028
local terms energy: -87.167148
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -253.714994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.714994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.714994 (E_RNA)
where:
Base-Base interactions energy: -156.678
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.197
local terms energy: -96.840273
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -205.019607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.019607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.019607 (E_RNA)
where:
Base-Base interactions energy: -122.447
where: short stacking energy: -47.393
Base-Backbone interact. energy: -0.189
local terms energy: -82.383989
where:
bonds (distance) C4'-P energy: -25.110
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -20.865
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -222.307178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.307178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.307178 (E_RNA)
where:
Base-Base interactions energy: -143.228
where: short stacking energy: -58.499
Base-Backbone interact. energy: -0.821
local terms energy: -78.258198
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -20.001
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -7.556
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: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -206.050622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.050622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.050622 (E_RNA)
where:
Base-Base interactions energy: -143.780
where: short stacking energy: -60.123
Base-Backbone interact. energy: 3.096
local terms energy: -65.366146
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -8.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -365.909547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.909547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.909547 (E_RNA)
where:
Base-Base interactions energy: -251.723
where: short stacking energy: -117.326
Base-Backbone interact. energy: -0.007
local terms energy: -114.179925
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -31.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -330.562522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.562522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.562522 (E_RNA)
where:
Base-Base interactions energy: -226.369
where: short stacking energy: -92.170
Base-Backbone interact. energy: -0.360
local terms energy: -103.833190
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -20.438
tors. eta vs tors. theta energy: -24.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -343.582781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.582781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.582781 (E_RNA)
where:
Base-Base interactions energy: -224.146
where: short stacking energy: -100.901
Base-Backbone interact. energy: -1.539
local terms energy: -117.898215
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -27.642
flat angles P-C4'-P energy: -17.701
tors. eta vs tors. theta energy: -28.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -322.529674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.529674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.529674 (E_RNA)
where:
Base-Base interactions energy: -224.077
where: short stacking energy: -96.157
Base-Backbone interact. energy: -0.970
local terms energy: -97.482841
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -281.132700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.132700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.132700 (E_RNA)
where:
Base-Base interactions energy: -179.994
where: short stacking energy: -83.371
Base-Backbone interact. energy: -0.132
local terms energy: -101.006925
where:
bonds (distance) C4'-P energy: -22.152
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -22.493
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -263.015476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.015476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.015476 (E_RNA)
where:
Base-Base interactions energy: -173.481
where: short stacking energy: -64.956
Base-Backbone interact. energy: 0.526
local terms energy: -90.060373
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -243.891780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.891780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.891780 (E_RNA)
where:
Base-Base interactions energy: -154.778
where: short stacking energy: -70.002
Base-Backbone interact. energy: -0.506
local terms energy: -88.608408
where:
bonds (distance) C4'-P energy: -23.957
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -207.410597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.410597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.410597 (E_RNA)
where:
Base-Base interactions energy: -118.719
where: short stacking energy: -60.093
Base-Backbone interact. energy: -0.272
local terms energy: -88.418759
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -6.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -239.579528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.579528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.579528 (E_RNA)
where:
Base-Base interactions energy: -165.045
where: short stacking energy: -78.810
Base-Backbone interact. energy: 0.031
local terms energy: -74.565685
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -217.575815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.575815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.575815 (E_RNA)
where:
Base-Base interactions energy: -141.466
where: short stacking energy: -61.065
Base-Backbone interact. energy: -0.398
local terms energy: -75.711530
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -13.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -370.718386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.718386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.718386 (E_RNA)
where:
Base-Base interactions energy: -253.918
where: short stacking energy: -102.015
Base-Backbone interact. energy: -0.085
local terms energy: -116.715912
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -25.433
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -35.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -335.508372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.508372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.508372 (E_RNA)
where:
Base-Base interactions energy: -231.662
where: short stacking energy: -84.094
Base-Backbone interact. energy: -1.338
local terms energy: -102.509115
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -24.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -311.836083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.836083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.836083 (E_RNA)
where:
Base-Base interactions energy: -205.575
where: short stacking energy: -97.220
Base-Backbone interact. energy: 0.080
local terms energy: -106.341393
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -26.951
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: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -311.897532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.897532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.897532 (E_RNA)
where:
Base-Base interactions energy: -207.527
where: short stacking energy: -88.138
Base-Backbone interact. energy: -0.113
local terms energy: -104.258312
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -23.879
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -276.147596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.147596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.147596 (E_RNA)
where:
Base-Base interactions energy: -185.359
where: short stacking energy: -84.683
Base-Backbone interact. energy: -0.127
local terms energy: -90.661459
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -273.739200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.739200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.739200 (E_RNA)
where:
Base-Base interactions energy: -173.295
where: short stacking energy: -87.883
Base-Backbone interact. energy: 0.199
local terms energy: -100.643277
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -21.331
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: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -264.662722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.662722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.662722 (E_RNA)
where:
Base-Base interactions energy: -175.948
where: short stacking energy: -75.808
Base-Backbone interact. energy: 4.483
local terms energy: -93.197043
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -238.107764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.107764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.107764 (E_RNA)
where:
Base-Base interactions energy: -156.009
where: short stacking energy: -66.100
Base-Backbone interact. energy: -0.398
local terms energy: -81.700334
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -197.270574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.270574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.270574 (E_RNA)
where:
Base-Base interactions energy: -126.522
where: short stacking energy: -45.024
Base-Backbone interact. energy: 0.312
local terms energy: -71.060522
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -221.780046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.780046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.780046 (E_RNA)
where:
Base-Base interactions energy: -138.906
where: short stacking energy: -60.591
Base-Backbone interact. energy: -1.047
local terms energy: -81.826718
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -12.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -360.701968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.701968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.701968 (E_RNA)
where:
Base-Base interactions energy: -245.606
where: short stacking energy: -96.463
Base-Backbone interact. energy: -1.344
local terms energy: -113.751167
where:
bonds (distance) C4'-P energy: -25.567
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -25.967
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -26.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -363.385766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.385766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.385766 (E_RNA)
where:
Base-Base interactions energy: -248.768
where: short stacking energy: -107.980
Base-Backbone interact. energy: 0.360
local terms energy: -114.977512
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -26.015
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -32.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -323.800912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.800912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.800912 (E_RNA)
where:
Base-Base interactions energy: -208.819
where: short stacking energy: -105.624
Base-Backbone interact. energy: -0.079
local terms energy: -114.902896
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -22.057
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -29.840
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: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -287.225824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.225824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.225824 (E_RNA)
where:
Base-Base interactions energy: -195.764
where: short stacking energy: -87.022
Base-Backbone interact. energy: -0.706
local terms energy: -90.755257
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -272.412486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.412486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.412486 (E_RNA)
where:
Base-Base interactions energy: -186.023
where: short stacking energy: -91.354
Base-Backbone interact. energy: 1.530
local terms energy: -87.919640
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -265.060088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.060088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.060088 (E_RNA)
where:
Base-Base interactions energy: -162.884
where: short stacking energy: -66.937
Base-Backbone interact. energy: 0.611
local terms energy: -102.786708
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -26.311
flat angles C4'-P-C4' energy: -26.877
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -232.079495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.079495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.079495 (E_RNA)
where:
Base-Base interactions energy: -149.855
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.297
local terms energy: -81.928387
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -13.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -252.772592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.772592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.772592 (E_RNA)
where:
Base-Base interactions energy: -163.151
where: short stacking energy: -78.720
Base-Backbone interact. energy: -0.138
local terms energy: -89.483727
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -232.002270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.002270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.002270 (E_RNA)
where:
Base-Base interactions energy: -149.048
where: short stacking energy: -56.501
Base-Backbone interact. energy: 0.102
local terms energy: -83.056520
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -238.653667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.653667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.653667 (E_RNA)
where:
Base-Base interactions energy: -147.571
where: short stacking energy: -57.033
Base-Backbone interact. energy: -0.446
local terms energy: -90.636868
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -363.671321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.671321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.671321 (E_RNA)
where:
Base-Base interactions energy: -255.445
where: short stacking energy: -96.471
Base-Backbone interact. energy: -2.111
local terms energy: -106.114991
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -25.677
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -28.055
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: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -364.569311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.569311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.569311 (E_RNA)
where:
Base-Base interactions energy: -243.815
where: short stacking energy: -100.869
Base-Backbone interact. energy: -0.065
local terms energy: -120.689531
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -29.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -332.910656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.910656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.910656 (E_RNA)
where:
Base-Base interactions energy: -229.713
where: short stacking energy: -93.424
Base-Backbone interact. energy: -0.845
local terms energy: -102.351870
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -23.537
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: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -288.036684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.036684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.036684 (E_RNA)
where:
Base-Base interactions energy: -191.164
where: short stacking energy: -89.386
Base-Backbone interact. energy: -0.130
local terms energy: -96.742408
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -22.407
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: 5, replica: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -293.223625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.223625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.223625 (E_RNA)
where:
Base-Base interactions energy: -190.256
where: short stacking energy: -86.136
Base-Backbone interact. energy: -0.056
local terms energy: -102.911588
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -261.913945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.913945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.913945 (E_RNA)
where:
Base-Base interactions energy: -162.616
where: short stacking energy: -72.017
Base-Backbone interact. energy: -0.184
local terms energy: -99.113900
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -25.998
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -19.525
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: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -270.009702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.009702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.009702 (E_RNA)
where:
Base-Base interactions energy: -168.326
where: short stacking energy: -82.319
Base-Backbone interact. energy: -0.663
local terms energy: -101.020224
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -23.500
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -22.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -269.697134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.697134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.697134 (E_RNA)
where:
Base-Base interactions energy: -176.276
where: short stacking energy: -69.927
Base-Backbone interact. energy: -0.176
local terms energy: -93.244504
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -27.189
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -19.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -222.800972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.800972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.800972 (E_RNA)
where:
Base-Base interactions energy: -147.613
where: short stacking energy: -61.308
Base-Backbone interact. energy: -0.358
local terms energy: -74.830048
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -194.191229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.191229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.191229 (E_RNA)
where:
Base-Base interactions energy: -130.403
where: short stacking energy: -49.473
Base-Backbone interact. energy: -1.260
local terms energy: -62.528355
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -366.599291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.599291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.599291 (E_RNA)
where:
Base-Base interactions energy: -252.458
where: short stacking energy: -86.865
Base-Backbone interact. energy: -2.586
local terms energy: -111.555738
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -23.289
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -27.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -361.979660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.979660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.979660 (E_RNA)
where:
Base-Base interactions energy: -248.698
where: short stacking energy: -113.917
Base-Backbone interact. energy: -0.159
local terms energy: -113.121917
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -26.685
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -34.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -327.306368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.306368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.306368 (E_RNA)
where:
Base-Base interactions energy: -220.053
where: short stacking energy: -83.928
Base-Backbone interact. energy: -0.227
local terms energy: -107.026225
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -25.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -288.266916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.266916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.266916 (E_RNA)
where:
Base-Base interactions energy: -179.580
where: short stacking energy: -96.917
Base-Backbone interact. energy: -0.005
local terms energy: -108.681877
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -18.980
tors. eta vs tors. theta energy: -24.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -278.277541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.277541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.277541 (E_RNA)
where:
Base-Base interactions energy: -180.300
where: short stacking energy: -84.391
Base-Backbone interact. energy: 0.368
local terms energy: -98.346332
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -27.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -263.981086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.981086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.981086 (E_RNA)
where:
Base-Base interactions energy: -175.038
where: short stacking energy: -79.452
Base-Backbone interact. energy: -0.417
local terms energy: -88.526306
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -269.085271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.085271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.085271 (E_RNA)
where:
Base-Base interactions energy: -170.095
where: short stacking energy: -77.992
Base-Backbone interact. energy: -0.341
local terms energy: -98.649786
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -247.891000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.891000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.891000 (E_RNA)
where:
Base-Base interactions energy: -158.068
where: short stacking energy: -71.714
Base-Backbone interact. energy: 0.050
local terms energy: -89.873718
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -202.242279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.242279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.242279 (E_RNA)
where:
Base-Base interactions energy: -117.435
where: short stacking energy: -49.590
Base-Backbone interact. energy: -0.977
local terms energy: -83.829820
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -211.994435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.994435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.994435 (E_RNA)
where:
Base-Base interactions energy: -130.838
where: short stacking energy: -48.929
Base-Backbone interact. energy: -0.772
local terms energy: -80.384526
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -362.665213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.665213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.665213 (E_RNA)
where:
Base-Base interactions energy: -252.688
where: short stacking energy: -98.640
Base-Backbone interact. energy: -0.567
local terms energy: -109.410131
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -25.833
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -29.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -363.434475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.434475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.434475 (E_RNA)
where:
Base-Base interactions energy: -244.172
where: short stacking energy: -108.937
Base-Backbone interact. energy: -0.054
local terms energy: -119.208454
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -25.019
flat angles P-C4'-P energy: -17.526
tors. eta vs tors. theta energy: -31.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -329.737777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.737777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.737777 (E_RNA)
where:
Base-Base interactions energy: -227.526
where: short stacking energy: -82.537
Base-Backbone interact. energy: -0.461
local terms energy: -101.750414
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -26.394
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -18.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -285.348954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.348954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.348954 (E_RNA)
where:
Base-Base interactions energy: -177.873
where: short stacking energy: -87.777
Base-Backbone interact. energy: 0.160
local terms energy: -107.636386
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -20.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -269.524527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.524527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.524527 (E_RNA)
where:
Base-Base interactions energy: -171.484
where: short stacking energy: -81.598
Base-Backbone interact. energy: -0.254
local terms energy: -97.786305
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -274.941901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.941901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.941901 (E_RNA)
where:
Base-Base interactions energy: -173.070
where: short stacking energy: -87.709
Base-Backbone interact. energy: -0.103
local terms energy: -101.768919
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -251.868827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.868827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.868827 (E_RNA)
where:
Base-Base interactions energy: -163.234
where: short stacking energy: -66.921
Base-Backbone interact. energy: -0.932
local terms energy: -87.702907
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -225.409094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.409094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.409094 (E_RNA)
where:
Base-Base interactions energy: -142.418
where: short stacking energy: -51.922
Base-Backbone interact. energy: -0.632
local terms energy: -82.358469
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -209.851431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.851431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.851431 (E_RNA)
where:
Base-Base interactions energy: -131.303
where: short stacking energy: -61.622
Base-Backbone interact. energy: 0.182
local terms energy: -78.729996
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -196.207114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.207114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.207114 (E_RNA)
where:
Base-Base interactions energy: -115.545
where: short stacking energy: -45.890
Base-Backbone interact. energy: -0.639
local terms energy: -80.023470
where:
bonds (distance) C4'-P energy: -24.814
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -11.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -363.470623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.470623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.470623 (E_RNA)
where:
Base-Base interactions energy: -248.486
where: short stacking energy: -102.973
Base-Backbone interact. energy: -0.582
local terms energy: -114.402756
where:
bonds (distance) C4'-P energy: -26.726
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -28.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -361.062621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.062621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.062621 (E_RNA)
where:
Base-Base interactions energy: -245.274
where: short stacking energy: -106.884
Base-Backbone interact. energy: -0.319
local terms energy: -115.469547
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -22.544
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -32.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -303.492956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.492956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.492956 (E_RNA)
where:
Base-Base interactions energy: -207.387
where: short stacking energy: -80.064
Base-Backbone interact. energy: -0.175
local terms energy: -95.930808
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -17.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -313.435833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.435833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.435833 (E_RNA)
where:
Base-Base interactions energy: -202.240
where: short stacking energy: -95.908
Base-Backbone interact. energy: -0.072
local terms energy: -111.123289
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -28.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -266.829730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.829730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.829730 (E_RNA)
where:
Base-Base interactions energy: -175.695
where: short stacking energy: -71.109
Base-Backbone interact. energy: 0.468
local terms energy: -91.602708
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -12.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -274.890428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.890428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.890428 (E_RNA)
where:
Base-Base interactions energy: -176.352
where: short stacking energy: -90.914
Base-Backbone interact. energy: -1.467
local terms energy: -97.071471
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -24.456
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -274.883292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.883292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.883292 (E_RNA)
where:
Base-Base interactions energy: -195.042
where: short stacking energy: -89.262
Base-Backbone interact. energy: 0.430
local terms energy: -80.271158
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -18.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -220.921087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.921087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.921087 (E_RNA)
where:
Base-Base interactions energy: -143.073
where: short stacking energy: -70.262
Base-Backbone interact. energy: -0.181
local terms energy: -77.667361
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -22.530
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -211.354040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.354040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.354040 (E_RNA)
where:
Base-Base interactions energy: -134.212
where: short stacking energy: -64.096
Base-Backbone interact. energy: 1.938
local terms energy: -79.080407
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -197.487251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.487251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.487251 (E_RNA)
where:
Base-Base interactions energy: -123.312
where: short stacking energy: -62.814
Base-Backbone interact. energy: 0.037
local terms energy: -74.212344
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -9.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -359.294946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.294946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.294946 (E_RNA)
where:
Base-Base interactions energy: -248.545
where: short stacking energy: -101.248
Base-Backbone interact. energy: -1.289
local terms energy: -109.460714
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -29.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -361.459709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.459709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.459709 (E_RNA)
where:
Base-Base interactions energy: -249.330
where: short stacking energy: -105.085
Base-Backbone interact. energy: 0.186
local terms energy: -112.316429
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -22.830
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -30.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -314.224096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.224096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.224096 (E_RNA)
where:
Base-Base interactions energy: -206.873
where: short stacking energy: -89.152
Base-Backbone interact. energy: -0.785
local terms energy: -106.566002
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -26.285
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -305.933068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.933068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.933068 (E_RNA)
where:
Base-Base interactions energy: -201.486
where: short stacking energy: -88.360
Base-Backbone interact. energy: -0.116
local terms energy: -104.330689
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -22.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -295.981745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.981745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.981745 (E_RNA)
where:
Base-Base interactions energy: -192.179
where: short stacking energy: -79.699
Base-Backbone interact. energy: -0.497
local terms energy: -103.306150
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -294.854636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.854636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.854636 (E_RNA)
where:
Base-Base interactions energy: -200.056
where: short stacking energy: -77.103
Base-Backbone interact. energy: -0.590
local terms energy: -94.208920
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -249.710047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.710047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.710047 (E_RNA)
where:
Base-Base interactions energy: -152.630
where: short stacking energy: -70.207
Base-Backbone interact. energy: -0.118
local terms energy: -96.962280
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -237.234679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.234679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.234679 (E_RNA)
where:
Base-Base interactions energy: -150.307
where: short stacking energy: -66.301
Base-Backbone interact. energy: -0.121
local terms energy: -86.806620
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -210.195070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.195070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.195070 (E_RNA)
where:
Base-Base interactions energy: -129.567
where: short stacking energy: -55.023
Base-Backbone interact. energy: 0.805
local terms energy: -81.433005
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -9.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -195.884710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.884710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.884710 (E_RNA)
where:
Base-Base interactions energy: -116.257
where: short stacking energy: -51.350
Base-Backbone interact. energy: 1.049
local terms energy: -80.677348
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -12.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -375.774688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.774688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.774688 (E_RNA)
where:
Base-Base interactions energy: -249.587
where: short stacking energy: -103.990
Base-Backbone interact. energy: -0.599
local terms energy: -125.588926
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -19.536
tors. eta vs tors. theta energy: -32.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -345.433499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.433499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.433499 (E_RNA)
where:
Base-Base interactions energy: -243.366
where: short stacking energy: -97.739
Base-Backbone interact. energy: 1.505
local terms energy: -103.572799
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -25.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -325.919449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.919449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.919449 (E_RNA)
where:
Base-Base interactions energy: -211.253
where: short stacking energy: -89.164
Base-Backbone interact. energy: -0.691
local terms energy: -113.975993
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -25.657
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -311.315384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.315384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.315384 (E_RNA)
where:
Base-Base interactions energy: -214.489
where: short stacking energy: -95.871
Base-Backbone interact. energy: -1.233
local terms energy: -95.593274
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -27.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -283.180981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.180981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.180981 (E_RNA)
where:
Base-Base interactions energy: -180.485
where: short stacking energy: -85.901
Base-Backbone interact. energy: -0.109
local terms energy: -102.587401
where:
bonds (distance) C4'-P energy: -25.151
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -265.589875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.589875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.589875 (E_RNA)
where:
Base-Base interactions energy: -180.558
where: short stacking energy: -81.001
Base-Backbone interact. energy: -0.143
local terms energy: -84.888337
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -227.643435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.643435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.643435 (E_RNA)
where:
Base-Base interactions energy: -136.680
where: short stacking energy: -76.358
Base-Backbone interact. energy: -1.178
local terms energy: -89.785888
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -252.961514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.961514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.961514 (E_RNA)
where:
Base-Base interactions energy: -165.634
where: short stacking energy: -70.538
Base-Backbone interact. energy: -0.132
local terms energy: -87.194734
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -205.577262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.577262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.577262 (E_RNA)
where:
Base-Base interactions energy: -125.517
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.315
local terms energy: -79.745042
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -23.736
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -201.423530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.423530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.423530 (E_RNA)
where:
Base-Base interactions energy: -125.109
where: short stacking energy: -66.485
Base-Backbone interact. energy: 0.230
local terms energy: -76.544472
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -376.808602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.808602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.808602 (E_RNA)
where:
Base-Base interactions energy: -252.520
where: short stacking energy: -108.233
Base-Backbone interact. energy: -0.084
local terms energy: -124.204604
where:
bonds (distance) C4'-P energy: -24.814
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -25.617
flat angles P-C4'-P energy: -20.079
tors. eta vs tors. theta energy: -32.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -352.533087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.533087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.533087 (E_RNA)
where:
Base-Base interactions energy: -238.625
where: short stacking energy: -102.371
Base-Backbone interact. energy: -1.133
local terms energy: -112.775584
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -23.082
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: -28.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -325.185691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.185691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.185691 (E_RNA)
where:
Base-Base interactions energy: -219.407
where: short stacking energy: -81.316
Base-Backbone interact. energy: -0.220
local terms energy: -105.558999
where:
bonds (distance) C4'-P energy: -26.847
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -24.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -327.651584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.651584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.651584 (E_RNA)
where:
Base-Base interactions energy: -219.399
where: short stacking energy: -81.584
Base-Backbone interact. energy: -0.157
local terms energy: -108.094905
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -23.370
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -24.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -270.993428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.993428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.993428 (E_RNA)
where:
Base-Base interactions energy: -167.376
where: short stacking energy: -84.779
Base-Backbone interact. energy: -0.085
local terms energy: -103.532543
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -21.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -272.156699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.156699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.156699 (E_RNA)
where:
Base-Base interactions energy: -173.958
where: short stacking energy: -85.205
Base-Backbone interact. energy: -0.250
local terms energy: -97.948894
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -26.214
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -202.970483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.970483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.970483 (E_RNA)
where:
Base-Base interactions energy: -118.790
where: short stacking energy: -66.305
Base-Backbone interact. energy: -0.455
local terms energy: -83.725654
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -22.414
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -261.324686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.324686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.324686 (E_RNA)
where:
Base-Base interactions energy: -173.745
where: short stacking energy: -82.530
Base-Backbone interact. energy: -0.382
local terms energy: -87.197617
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -205.173101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.173101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.173101 (E_RNA)
where:
Base-Base interactions energy: -127.628
where: short stacking energy: -61.541
Base-Backbone interact. energy: -0.702
local terms energy: -76.843101
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -204.211776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.211776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.211776 (E_RNA)
where:
Base-Base interactions energy: -122.519
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.351
local terms energy: -81.342359
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -370.207699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.207699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.207699 (E_RNA)
where:
Base-Base interactions energy: -252.023
where: short stacking energy: -109.186
Base-Backbone interact. energy: -0.049
local terms energy: -118.135485
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -16.118
tors. eta vs tors. theta energy: -33.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -361.248527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.248527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.248527 (E_RNA)
where:
Base-Base interactions energy: -248.361
where: short stacking energy: -106.975
Base-Backbone interact. energy: 0.183
local terms energy: -113.070851
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -25.959
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -31.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -338.822380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.822380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.822380 (E_RNA)
where:
Base-Base interactions energy: -234.570
where: short stacking energy: -95.946
Base-Backbone interact. energy: 0.847
local terms energy: -105.099520
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -29.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -287.526999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.526999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.526999 (E_RNA)
where:
Base-Base interactions energy: -188.889
where: short stacking energy: -78.194
Base-Backbone interact. energy: -0.916
local terms energy: -97.722043
where:
bonds (distance) C4'-P energy: -22.813
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -276.571347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.571347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.571347 (E_RNA)
where:
Base-Base interactions energy: -178.929
where: short stacking energy: -76.929
Base-Backbone interact. energy: -0.288
local terms energy: -97.354255
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -21.413
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -269.484980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.484980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.484980 (E_RNA)
where:
Base-Base interactions energy: -168.488
where: short stacking energy: -76.433
Base-Backbone interact. energy: -0.228
local terms energy: -100.768831
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -26.010
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: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -256.995551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.995551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.995551 (E_RNA)
where:
Base-Base interactions energy: -173.382
where: short stacking energy: -73.851
Base-Backbone interact. energy: -0.559
local terms energy: -83.054488
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -192.598474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.598474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.598474 (E_RNA)
where:
Base-Base interactions energy: -112.989
where: short stacking energy: -49.834
Base-Backbone interact. energy: -0.360
local terms energy: -79.249608
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -8.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -193.142928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.142928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.142928 (E_RNA)
where:
Base-Base interactions energy: -108.242
where: short stacking energy: -51.695
Base-Backbone interact. energy: -1.227
local terms energy: -83.674033
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -182.391999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.391999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.391999 (E_RNA)
where:
Base-Base interactions energy: -115.888
where: short stacking energy: -49.915
Base-Backbone interact. energy: 1.388
local terms energy: -67.891645
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: 1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -377.649262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.649262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.649262 (E_RNA)
where:
Base-Base interactions energy: -262.748
where: short stacking energy: -116.755
Base-Backbone interact. energy: -0.150
local terms energy: -114.750491
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -34.569
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: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -345.634932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.634932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.634932 (E_RNA)
where:
Base-Base interactions energy: -245.986
where: short stacking energy: -98.043
Base-Backbone interact. energy: -0.812
local terms energy: -98.836974
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -24.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -335.176730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.176730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.176730 (E_RNA)
where:
Base-Base interactions energy: -221.759
where: short stacking energy: -96.699
Base-Backbone interact. energy: 0.213
local terms energy: -113.630592
where:
bonds (distance) C4'-P energy: -26.341
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -28.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -291.983229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.983229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.983229 (E_RNA)
where:
Base-Base interactions energy: -175.109
where: short stacking energy: -90.540
Base-Backbone interact. energy: -0.189
local terms energy: -116.684573
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -25.015
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -28.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -284.237480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.237480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.237480 (E_RNA)
where:
Base-Base interactions energy: -174.340
where: short stacking energy: -91.054
Base-Backbone interact. energy: -0.100
local terms energy: -109.797346
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -25.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -270.374230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.374230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.374230 (E_RNA)
where:
Base-Base interactions energy: -182.437
where: short stacking energy: -78.344
Base-Backbone interact. energy: -0.325
local terms energy: -87.613088
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -267.468378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.468378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.468378 (E_RNA)
where:
Base-Base interactions energy: -179.109
where: short stacking energy: -73.759
Base-Backbone interact. energy: -0.041
local terms energy: -88.318599
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -198.116427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.116427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.116427 (E_RNA)
where:
Base-Base interactions energy: -120.387
where: short stacking energy: -48.379
Base-Backbone interact. energy: -0.213
local terms energy: -77.516232
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -197.118378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.118378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.118378 (E_RNA)
where:
Base-Base interactions energy: -113.504
where: short stacking energy: -57.037
Base-Backbone interact. energy: -0.323
local terms energy: -83.291026
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -199.771789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.771789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.771789 (E_RNA)
where:
Base-Base interactions energy: -120.529
where: short stacking energy: -51.225
Base-Backbone interact. energy: 1.080
local terms energy: -80.323228
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -372.344083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.344083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.344083 (E_RNA)
where:
Base-Base interactions energy: -246.903
where: short stacking energy: -107.196
Base-Backbone interact. energy: 0.240
local terms energy: -125.681294
where:
bonds (distance) C4'-P energy: -24.542
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -24.872
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -34.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -335.093385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.093385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.093385 (E_RNA)
where:
Base-Base interactions energy: -219.544
where: short stacking energy: -95.456
Base-Backbone interact. energy: -0.768
local terms energy: -114.781164
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -335.460904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.460904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.460904 (E_RNA)
where:
Base-Base interactions energy: -232.636
where: short stacking energy: -105.606
Base-Backbone interact. energy: -0.227
local terms energy: -102.597782
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -24.407
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -26.210
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: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -314.147292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.147292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.147292 (E_RNA)
where:
Base-Base interactions energy: -210.557
where: short stacking energy: -102.273
Base-Backbone interact. energy: -0.450
local terms energy: -103.140602
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -27.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -286.010347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.010347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.010347 (E_RNA)
where:
Base-Base interactions energy: -185.435
where: short stacking energy: -86.256
Base-Backbone interact. energy: -1.246
local terms energy: -99.328875
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -262.019298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.019298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.019298 (E_RNA)
where:
Base-Base interactions energy: -170.441
where: short stacking energy: -79.835
Base-Backbone interact. energy: -0.387
local terms energy: -91.190999
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -239.419955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.419955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.419955 (E_RNA)
where:
Base-Base interactions energy: -150.358
where: short stacking energy: -70.774
Base-Backbone interact. energy: -0.311
local terms energy: -88.751005
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -193.971305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.971305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.971305 (E_RNA)
where:
Base-Base interactions energy: -112.648
where: short stacking energy: -56.734
Base-Backbone interact. energy: 0.633
local terms energy: -81.956423
where:
bonds (distance) C4'-P energy: -25.486
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -13.663
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: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -237.642481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.642481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.642481 (E_RNA)
where:
Base-Base interactions energy: -144.101
where: short stacking energy: -63.644
Base-Backbone interact. energy: -2.587
local terms energy: -90.953836
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -171.039760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.039760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.039760 (E_RNA)
where:
Base-Base interactions energy: -97.194
where: short stacking energy: -45.479
Base-Backbone interact. energy: -0.963
local terms energy: -72.882131
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: 0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -378.297164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.297164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.297164 (E_RNA)
where:
Base-Base interactions energy: -254.651
where: short stacking energy: -105.617
Base-Backbone interact. energy: -0.443
local terms energy: -123.202859
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -20.065
tors. eta vs tors. theta energy: -34.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -338.786838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.786838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.786838 (E_RNA)
where:
Base-Base interactions energy: -229.375
where: short stacking energy: -95.897
Base-Backbone interact. energy: -0.088
local terms energy: -109.323180
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -27.438
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -29.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -331.694315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.694315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.694315 (E_RNA)
where:
Base-Base interactions energy: -224.952
where: short stacking energy: -92.974
Base-Backbone interact. energy: -0.556
local terms energy: -106.185809
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -25.724
flat angles C4'-P-C4' energy: -23.879
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -302.443267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.443267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.443267 (E_RNA)
where:
Base-Base interactions energy: -193.978
where: short stacking energy: -85.716
Base-Backbone interact. energy: -0.235
local terms energy: -108.230396
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -27.945
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -23.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -279.719727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.719727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.719727 (E_RNA)
where:
Base-Base interactions energy: -181.783
where: short stacking energy: -93.174
Base-Backbone interact. energy: -0.140
local terms energy: -97.796873
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -24.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -284.042951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.042951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.042951 (E_RNA)
where:
Base-Base interactions energy: -176.105
where: short stacking energy: -84.485
Base-Backbone interact. energy: -1.719
local terms energy: -106.218885
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -31.298
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: 229
Temperature: 1.200000
Total energy: -258.460280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.460280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.460280 (E_RNA)
where:
Base-Base interactions energy: -167.144
where: short stacking energy: -87.381
Base-Backbone interact. energy: 0.751
local terms energy: -92.066850
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -223.215093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.215093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.215093 (E_RNA)
where:
Base-Base interactions energy: -132.722
where: short stacking energy: -71.743
Base-Backbone interact. energy: -0.182
local terms energy: -90.311451
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -22.645
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -198.413446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.413446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.413446 (E_RNA)
where:
Base-Base interactions energy: -114.130
where: short stacking energy: -52.890
Base-Backbone interact. energy: -0.061
local terms energy: -84.222178
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -5.188
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: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -203.702528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.702528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.702528 (E_RNA)
where:
Base-Base interactions energy: -124.723
where: short stacking energy: -54.464
Base-Backbone interact. energy: -0.393
local terms energy: -78.586371
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -369.101595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.101595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.101595 (E_RNA)
where:
Base-Base interactions energy: -247.766
where: short stacking energy: -108.990
Base-Backbone interact. energy: -0.127
local terms energy: -121.208036
where:
bonds (distance) C4'-P energy: -25.799
bonds (distance) P-C4' energy: -24.436
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -33.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -324.978748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.978748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.978748 (E_RNA)
where:
Base-Base interactions energy: -216.656
where: short stacking energy: -94.171
Base-Backbone interact. energy: -0.154
local terms energy: -108.168143
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -24.155
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -25.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -324.845282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.845282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.845282 (E_RNA)
where:
Base-Base interactions energy: -220.064
where: short stacking energy: -93.540
Base-Backbone interact. energy: -0.334
local terms energy: -104.447303
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -26.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -294.009462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.009462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.009462 (E_RNA)
where:
Base-Base interactions energy: -202.737
where: short stacking energy: -78.736
Base-Backbone interact. energy: -0.142
local terms energy: -91.130673
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -4.057
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -265.467110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.467110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.467110 (E_RNA)
where:
Base-Base interactions energy: -168.700
where: short stacking energy: -84.045
Base-Backbone interact. energy: -0.659
local terms energy: -96.108779
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -268.724033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.724033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.724033 (E_RNA)
where:
Base-Base interactions energy: -183.200
where: short stacking energy: -78.223
Base-Backbone interact. energy: 0.895
local terms energy: -86.419482
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -266.294010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.294010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.294010 (E_RNA)
where:
Base-Base interactions energy: -170.266
where: short stacking energy: -79.546
Base-Backbone interact. energy: -0.342
local terms energy: -95.685709
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -206.892057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.892057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.892057 (E_RNA)
where:
Base-Base interactions energy: -115.942
where: short stacking energy: -54.544
Base-Backbone interact. energy: 0.325
local terms energy: -91.275061
where:
bonds (distance) C4'-P energy: -23.544
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -225.149031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.149031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.149031 (E_RNA)
where:
Base-Base interactions energy: -133.286
where: short stacking energy: -57.730
Base-Backbone interact. energy: -0.436
local terms energy: -91.427732
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -191.823363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.823363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.823363 (E_RNA)
where:
Base-Base interactions energy: -115.578
where: short stacking energy: -55.109
Base-Backbone interact. energy: -0.385
local terms energy: -75.860160
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -374.187350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.187350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.187350 (E_RNA)
where:
Base-Base interactions energy: -249.209
where: short stacking energy: -109.493
Base-Backbone interact. energy: -0.930
local terms energy: -124.048094
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -27.336
flat angles P-C4'-P energy: -19.710
tors. eta vs tors. theta energy: -33.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -327.808996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.808996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.808996 (E_RNA)
where:
Base-Base interactions energy: -229.160
where: short stacking energy: -94.146
Base-Backbone interact. energy: -0.419
local terms energy: -98.230273
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -24.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -323.880604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.880604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.880604 (E_RNA)
where:
Base-Base interactions energy: -222.555
where: short stacking energy: -102.194
Base-Backbone interact. energy: -0.242
local terms energy: -101.083283
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -28.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -289.353195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.353195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.353195 (E_RNA)
where:
Base-Base interactions energy: -180.996
where: short stacking energy: -87.408
Base-Backbone interact. energy: -1.231
local terms energy: -107.126053
where:
bonds (distance) C4'-P energy: -23.514
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -20.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -275.415496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.415496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.415496 (E_RNA)
where:
Base-Base interactions energy: -179.542
where: short stacking energy: -89.572
Base-Backbone interact. energy: -0.016
local terms energy: -95.858110
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -253.657420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.657420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.657420 (E_RNA)
where:
Base-Base interactions energy: -162.912
where: short stacking energy: -71.086
Base-Backbone interact. energy: -0.169
local terms energy: -90.577077
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -256.103766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.103766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.103766 (E_RNA)
where:
Base-Base interactions energy: -172.477
where: short stacking energy: -73.852
Base-Backbone interact. energy: -0.909
local terms energy: -82.717973
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -14.453
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: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -215.114739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.114739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.114739 (E_RNA)
where:
Base-Base interactions energy: -141.484
where: short stacking energy: -66.716
Base-Backbone interact. energy: 0.321
local terms energy: -73.951582
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -197.462873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.462873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.462873 (E_RNA)
where:
Base-Base interactions energy: -120.486
where: short stacking energy: -52.398
Base-Backbone interact. energy: -0.192
local terms energy: -76.784215
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -9.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -238.880322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.880322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.880322 (E_RNA)
where:
Base-Base interactions energy: -154.420
where: short stacking energy: -73.267
Base-Backbone interact. energy: -1.311
local terms energy: -83.149387
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -370.498393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.498393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.498393 (E_RNA)
where:
Base-Base interactions energy: -244.237
where: short stacking energy: -105.816
Base-Backbone interact. energy: -0.692
local terms energy: -125.569519
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -25.654
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -34.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -336.891234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.891234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.891234 (E_RNA)
where:
Base-Base interactions energy: -221.728
where: short stacking energy: -80.829
Base-Backbone interact. energy: -0.561
local terms energy: -114.602317
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -26.268
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -26.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -321.029567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.029567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.029567 (E_RNA)
where:
Base-Base interactions energy: -227.165
where: short stacking energy: -106.534
Base-Backbone interact. energy: -0.569
local terms energy: -93.296097
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -23.607
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: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -275.368109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.368109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.368109 (E_RNA)
where:
Base-Base interactions energy: -181.376
where: short stacking energy: -88.507
Base-Backbone interact. energy: -0.176
local terms energy: -93.816127
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -22.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -267.978475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.978475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.978475 (E_RNA)
where:
Base-Base interactions energy: -168.469
where: short stacking energy: -79.705
Base-Backbone interact. energy: -0.206
local terms energy: -99.303438
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -25.102
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -262.655913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.655913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.655913 (E_RNA)
where:
Base-Base interactions energy: -166.565
where: short stacking energy: -77.637
Base-Backbone interact. energy: -0.504
local terms energy: -95.587153
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -225.992189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.992189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.992189 (E_RNA)
where:
Base-Base interactions energy: -143.258
where: short stacking energy: -70.757
Base-Backbone interact. energy: -0.161
local terms energy: -82.572679
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -247.025061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.025061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.025061 (E_RNA)
where:
Base-Base interactions energy: -153.542
where: short stacking energy: -74.443
Base-Backbone interact. energy: -0.035
local terms energy: -93.448423
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -244.029947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.029947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.029947 (E_RNA)
where:
Base-Base interactions energy: -149.943
where: short stacking energy: -66.046
Base-Backbone interact. energy: -0.195
local terms energy: -93.892209
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -196.665713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.665713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.665713 (E_RNA)
where:
Base-Base interactions energy: -114.727
where: short stacking energy: -52.477
Base-Backbone interact. energy: -0.384
local terms energy: -81.553990
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -24.804
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -375.291252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.291252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.291252 (E_RNA)
where:
Base-Base interactions energy: -253.478
where: short stacking energy: -103.893
Base-Backbone interact. energy: 0.359
local terms energy: -122.172739
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -34.028
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: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -314.901421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.901421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.901421 (E_RNA)
where:
Base-Base interactions energy: -198.140
where: short stacking energy: -95.850
Base-Backbone interact. energy: -0.114
local terms energy: -116.646901
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -26.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -316.993826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.993826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.993826 (E_RNA)
where:
Base-Base interactions energy: -213.772
where: short stacking energy: -89.569
Base-Backbone interact. energy: -0.537
local terms energy: -102.685389
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -26.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -278.601845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.601845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.601845 (E_RNA)
where:
Base-Base interactions energy: -184.235
where: short stacking energy: -72.592
Base-Backbone interact. energy: 1.204
local terms energy: -95.571147
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -270.152696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.152696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.152696 (E_RNA)
where:
Base-Base interactions energy: -174.523
where: short stacking energy: -76.741
Base-Backbone interact. energy: -1.242
local terms energy: -94.386996
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -271.732842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.732842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.732842 (E_RNA)
where:
Base-Base interactions energy: -179.688
where: short stacking energy: -91.937
Base-Backbone interact. energy: -0.082
local terms energy: -91.962673
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -254.209326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.209326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.209326 (E_RNA)
where:
Base-Base interactions energy: -160.290
where: short stacking energy: -65.837
Base-Backbone interact. energy: 2.072
local terms energy: -95.991176
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -220.982460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.982460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.982460 (E_RNA)
where:
Base-Base interactions energy: -146.043
where: short stacking energy: -59.723
Base-Backbone interact. energy: 0.114
local terms energy: -75.053763
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -11.806
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: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -240.656844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.656844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.656844 (E_RNA)
where:
Base-Base interactions energy: -140.143
where: short stacking energy: -61.687
Base-Backbone interact. energy: -0.234
local terms energy: -100.279787
where:
bonds (distance) C4'-P energy: -24.381
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -186.924874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.924874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.924874 (E_RNA)
where:
Base-Base interactions energy: -99.690
where: short stacking energy: -46.433
Base-Backbone interact. energy: -0.930
local terms energy: -86.304795
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -365.089049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.089049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.089049 (E_RNA)
where:
Base-Base interactions energy: -242.310
where: short stacking energy: -100.696
Base-Backbone interact. energy: -0.270
local terms energy: -122.508836
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -24.491
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -35.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -320.831414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.831414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.831414 (E_RNA)
where:
Base-Base interactions energy: -204.065
where: short stacking energy: -84.506
Base-Backbone interact. energy: -0.395
local terms energy: -116.371444
where:
bonds (distance) C4'-P energy: -25.952
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -27.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -310.757858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.757858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.757858 (E_RNA)
where:
Base-Base interactions energy: -201.784
where: short stacking energy: -97.118
Base-Backbone interact. energy: -0.255
local terms energy: -108.718237
where:
bonds (distance) C4'-P energy: -26.073
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -24.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -292.489858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.489858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.489858 (E_RNA)
where:
Base-Base interactions energy: -193.578
where: short stacking energy: -83.915
Base-Backbone interact. energy: -0.168
local terms energy: -98.743478
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -22.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -272.988971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.988971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.988971 (E_RNA)
where:
Base-Base interactions energy: -182.586
where: short stacking energy: -67.280
Base-Backbone interact. energy: -0.369
local terms energy: -90.034186
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -278.574591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.574591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.574591 (E_RNA)
where:
Base-Base interactions energy: -175.387
where: short stacking energy: -81.322
Base-Backbone interact. energy: -0.052
local terms energy: -103.135838
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -24.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -244.895302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.895302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.895302 (E_RNA)
where:
Base-Base interactions energy: -151.381
where: short stacking energy: -64.106
Base-Backbone interact. energy: -0.185
local terms energy: -93.329502
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -9.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -241.954329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.954329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.954329 (E_RNA)
where:
Base-Base interactions energy: -152.562
where: short stacking energy: -68.860
Base-Backbone interact. energy: -0.108
local terms energy: -89.284162
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -232.449839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.449839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.449839 (E_RNA)
where:
Base-Base interactions energy: -143.158
where: short stacking energy: -68.716
Base-Backbone interact. energy: -1.427
local terms energy: -87.864475
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -191.286644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.286644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.286644 (E_RNA)
where:
Base-Base interactions energy: -122.785
where: short stacking energy: -55.129
Base-Backbone interact. energy: 0.374
local terms energy: -68.876070
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -364.967136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.967136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.967136 (E_RNA)
where:
Base-Base interactions energy: -243.054
where: short stacking energy: -102.011
Base-Backbone interact. energy: -0.094
local terms energy: -121.818722
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -36.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -329.756787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.756787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.756787 (E_RNA)
where:
Base-Base interactions energy: -225.309
where: short stacking energy: -102.221
Base-Backbone interact. energy: -0.062
local terms energy: -104.385764
where:
bonds (distance) C4'-P energy: -24.534
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -23.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -322.688679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.688679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.688679 (E_RNA)
where:
Base-Base interactions energy: -219.625
where: short stacking energy: -86.198
Base-Backbone interact. energy: -0.330
local terms energy: -102.733869
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -23.435
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -293.668913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.668913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.668913 (E_RNA)
where:
Base-Base interactions energy: -190.347
where: short stacking energy: -90.289
Base-Backbone interact. energy: -0.101
local terms energy: -103.220378
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -27.546
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: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -280.607330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.607330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.607330 (E_RNA)
where:
Base-Base interactions energy: -174.826
where: short stacking energy: -73.980
Base-Backbone interact. energy: 0.148
local terms energy: -105.929063
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -263.977848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.977848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.977848 (E_RNA)
where:
Base-Base interactions energy: -165.783
where: short stacking energy: -74.926
Base-Backbone interact. energy: -0.070
local terms energy: -98.124921
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -14.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -263.085403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.085403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.085403 (E_RNA)
where:
Base-Base interactions energy: -175.415
where: short stacking energy: -72.859
Base-Backbone interact. energy: -0.709
local terms energy: -86.960760
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -22.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -240.366233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.366233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.366233 (E_RNA)
where:
Base-Base interactions energy: -147.232
where: short stacking energy: -70.963
Base-Backbone interact. energy: -0.352
local terms energy: -92.782363
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -248.488922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.488922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.488922 (E_RNA)
where:
Base-Base interactions energy: -166.767
where: short stacking energy: -84.224
Base-Backbone interact. energy: -0.476
local terms energy: -81.245172
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -177.231040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.231040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.231040 (E_RNA)
where:
Base-Base interactions energy: -94.366
where: short stacking energy: -52.915
Base-Backbone interact. energy: -0.329
local terms energy: -82.535813
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -370.475331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.475331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.475331 (E_RNA)
where:
Base-Base interactions energy: -243.493
where: short stacking energy: -103.919
Base-Backbone interact. energy: -0.034
local terms energy: -126.948046
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -29.378
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: -34.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -324.979283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.979283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.979283 (E_RNA)
where:
Base-Base interactions energy: -210.909
where: short stacking energy: -98.657
Base-Backbone interact. energy: -0.079
local terms energy: -113.992177
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -19.604
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -333.908491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.908491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.908491 (E_RNA)
where:
Base-Base interactions energy: -230.137
where: short stacking energy: -107.233
Base-Backbone interact. energy: -0.095
local terms energy: -103.676845
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -29.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -317.773981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.773981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.773981 (E_RNA)
where:
Base-Base interactions energy: -211.096
where: short stacking energy: -87.694
Base-Backbone interact. energy: -1.146
local terms energy: -105.531946
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -28.881
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: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -235.054292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.054292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.054292 (E_RNA)
where:
Base-Base interactions energy: -139.860
where: short stacking energy: -57.289
Base-Backbone interact. energy: -0.880
local terms energy: -94.314636
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -250.941691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.941691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.941691 (E_RNA)
where:
Base-Base interactions energy: -167.447
where: short stacking energy: -66.898
Base-Backbone interact. energy: -0.466
local terms energy: -83.028468
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -268.120622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.120622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.120622 (E_RNA)
where:
Base-Base interactions energy: -167.997
where: short stacking energy: -80.119
Base-Backbone interact. energy: -0.112
local terms energy: -100.011461
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -22.810
flat angles C4'-P-C4' energy: -20.916
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -25.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -250.107562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.107562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.107562 (E_RNA)
where:
Base-Base interactions energy: -162.231
where: short stacking energy: -71.476
Base-Backbone interact. energy: -0.098
local terms energy: -87.778578
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -241.309973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.309973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.309973 (E_RNA)
where:
Base-Base interactions energy: -150.525
where: short stacking energy: -73.994
Base-Backbone interact. energy: -0.038
local terms energy: -90.747652
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -194.361030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.361030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.361030 (E_RNA)
where:
Base-Base interactions energy: -114.994
where: short stacking energy: -47.912
Base-Backbone interact. energy: -1.561
local terms energy: -77.806009
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -373.698870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.698870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.698870 (E_RNA)
where:
Base-Base interactions energy: -243.688
where: short stacking energy: -102.554
Base-Backbone interact. energy: -0.191
local terms energy: -129.819706
where:
bonds (distance) C4'-P energy: -25.344
bonds (distance) P-C4' energy: -26.505
flat angles C4'-P-C4' energy: -26.083
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -34.509
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: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -315.834470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.834470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.834470 (E_RNA)
where:
Base-Base interactions energy: -214.449
where: short stacking energy: -89.355
Base-Backbone interact. energy: -0.391
local terms energy: -100.994208
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -24.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -310.830484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.830484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.830484 (E_RNA)
where:
Base-Base interactions energy: -204.773
where: short stacking energy: -83.711
Base-Backbone interact. energy: -0.843
local terms energy: -105.214534
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -24.430
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: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -287.796789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.796789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.796789 (E_RNA)
where:
Base-Base interactions energy: -184.430
where: short stacking energy: -92.087
Base-Backbone interact. energy: -0.103
local terms energy: -103.263899
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -254.374930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.374930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.374930 (E_RNA)
where:
Base-Base interactions energy: -147.475
where: short stacking energy: -82.284
Base-Backbone interact. energy: -1.453
local terms energy: -105.446475
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -25.523
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -15.455
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: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -246.353684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.353684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.353684 (E_RNA)
where:
Base-Base interactions energy: -154.240
where: short stacking energy: -70.150
Base-Backbone interact. energy: -1.245
local terms energy: -90.869034
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -19.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -264.120071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.120071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.120071 (E_RNA)
where:
Base-Base interactions energy: -177.346
where: short stacking energy: -74.237
Base-Backbone interact. energy: -1.742
local terms energy: -85.031885
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -20.089
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -237.208451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.208451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.208451 (E_RNA)
where:
Base-Base interactions energy: -145.191
where: short stacking energy: -66.599
Base-Backbone interact. energy: 0.784
local terms energy: -92.801066
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -203.542193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.542193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.542193 (E_RNA)
where:
Base-Base interactions energy: -133.080
where: short stacking energy: -55.193
Base-Backbone interact. energy: 0.601
local terms energy: -71.063106
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -236.907092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.907092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.907092 (E_RNA)
where:
Base-Base interactions energy: -158.808
where: short stacking energy: -74.183
Base-Backbone interact. energy: -0.577
local terms energy: -77.521268
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -371.699858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.699858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.699858 (E_RNA)
where:
Base-Base interactions energy: -248.872
where: short stacking energy: -105.161
Base-Backbone interact. energy: -0.104
local terms energy: -122.723831
where:
bonds (distance) C4'-P energy: -23.467
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -33.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -324.212744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.212744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.212744 (E_RNA)
where:
Base-Base interactions energy: -224.129
where: short stacking energy: -90.611
Base-Backbone interact. energy: 0.614
local terms energy: -100.697804
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -311.805790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.805790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.805790 (E_RNA)
where:
Base-Base interactions energy: -204.307
where: short stacking energy: -92.333
Base-Backbone interact. energy: -0.561
local terms energy: -106.937718
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -22.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -279.267818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.267818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.267818 (E_RNA)
where:
Base-Base interactions energy: -175.761
where: short stacking energy: -78.818
Base-Backbone interact. energy: -1.130
local terms energy: -102.377007
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -24.952
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -259.184535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.184535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.184535 (E_RNA)
where:
Base-Base interactions energy: -177.164
where: short stacking energy: -77.200
Base-Backbone interact. energy: -0.000
local terms energy: -82.020557
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -237.064822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.064822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.064822 (E_RNA)
where:
Base-Base interactions energy: -141.151
where: short stacking energy: -80.413
Base-Backbone interact. energy: -0.154
local terms energy: -95.759316
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -10.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -249.153325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.153325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.153325 (E_RNA)
where:
Base-Base interactions energy: -160.660
where: short stacking energy: -79.767
Base-Backbone interact. energy: -0.181
local terms energy: -88.312737
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -21.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -238.292638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.292638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.292638 (E_RNA)
where:
Base-Base interactions energy: -156.268
where: short stacking energy: -75.755
Base-Backbone interact. energy: -0.174
local terms energy: -81.850408
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -264.847671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.847671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.847671 (E_RNA)
where:
Base-Base interactions energy: -174.358
where: short stacking energy: -73.756
Base-Backbone interact. energy: 2.084
local terms energy: -92.573836
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -18.593
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -16.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -206.787679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.787679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.787679 (E_RNA)
where:
Base-Base interactions energy: -126.753
where: short stacking energy: -59.375
Base-Backbone interact. energy: 5.313
local terms energy: -85.348339
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -8.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -373.634110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.634110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.634110 (E_RNA)
where:
Base-Base interactions energy: -250.582
where: short stacking energy: -108.215
Base-Backbone interact. energy: -0.025
local terms energy: -123.027154
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -34.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -313.597857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.597857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.597857 (E_RNA)
where:
Base-Base interactions energy: -200.761
where: short stacking energy: -87.716
Base-Backbone interact. energy: -0.180
local terms energy: -112.656561
where:
bonds (distance) C4'-P energy: -26.659
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -299.385420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.385420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.385420 (E_RNA)
where:
Base-Base interactions energy: -201.204
where: short stacking energy: -92.290
Base-Backbone interact. energy: 0.713
local terms energy: -98.894548
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -26.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -277.796579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.796579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.796579 (E_RNA)
where:
Base-Base interactions energy: -171.909
where: short stacking energy: -70.569
Base-Backbone interact. energy: 0.049
local terms energy: -105.936710
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -269.917680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.917680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.917680 (E_RNA)
where:
Base-Base interactions energy: -179.686
where: short stacking energy: -87.098
Base-Backbone interact. energy: -0.005
local terms energy: -90.226361
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -23.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -261.374692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.374692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.374692 (E_RNA)
where:
Base-Base interactions energy: -166.698
where: short stacking energy: -84.103
Base-Backbone interact. energy: -1.060
local terms energy: -93.616853
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -21.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -223.042071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.042071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.042071 (E_RNA)
where:
Base-Base interactions energy: -134.390
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.109
local terms energy: -88.543166
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -232.747214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.747214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.747214 (E_RNA)
where:
Base-Base interactions energy: -145.227
where: short stacking energy: -70.285
Base-Backbone interact. energy: -0.287
local terms energy: -87.233160
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -232.933687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.933687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.933687 (E_RNA)
where:
Base-Base interactions energy: -156.077
where: short stacking energy: -70.153
Base-Backbone interact. energy: -0.210
local terms energy: -76.646128
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -217.721154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.721154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.721154 (E_RNA)
where:
Base-Base interactions energy: -140.891
where: short stacking energy: -74.045
Base-Backbone interact. energy: -0.124
local terms energy: -76.706348
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -380.214436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.214436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.214436 (E_RNA)
where:
Base-Base interactions energy: -252.186
where: short stacking energy: -108.400
Base-Backbone interact. energy: -0.057
local terms energy: -127.971699
where:
bonds (distance) C4'-P energy: -24.065
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -19.266
tors. eta vs tors. theta energy: -36.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -331.630126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.630126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.630126 (E_RNA)
where:
Base-Base interactions energy: -219.152
where: short stacking energy: -92.241
Base-Backbone interact. energy: -1.618
local terms energy: -110.859671
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -22.668
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -26.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -304.009183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.009183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.009183 (E_RNA)
where:
Base-Base interactions energy: -200.535
where: short stacking energy: -85.385
Base-Backbone interact. energy: -0.530
local terms energy: -102.944378
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -21.037
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: 240
Temperature: 1.050000
Total energy: -305.768394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.768394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.768394 (E_RNA)
where:
Base-Base interactions energy: -195.991
where: short stacking energy: -92.852
Base-Backbone interact. energy: -0.854
local terms energy: -108.922965
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -26.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -267.824105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.824105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.824105 (E_RNA)
where:
Base-Base interactions energy: -164.443
where: short stacking energy: -81.990
Base-Backbone interact. energy: -0.090
local terms energy: -103.291501
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -248.445964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.445964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.445964 (E_RNA)
where:
Base-Base interactions energy: -159.199
where: short stacking energy: -80.859
Base-Backbone interact. energy: -0.167
local terms energy: -89.079689
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -22.963
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -216.428416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.428416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.428416 (E_RNA)
where:
Base-Base interactions energy: -138.684
where: short stacking energy: -53.222
Base-Backbone interact. energy: 0.954
local terms energy: -78.698396
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -8.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -214.349790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.349790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.349790 (E_RNA)
where:
Base-Base interactions energy: -133.351
where: short stacking energy: -56.062
Base-Backbone interact. energy: 0.087
local terms energy: -81.085924
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -237.939778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.939778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.939778 (E_RNA)
where:
Base-Base interactions energy: -156.399
where: short stacking energy: -70.277
Base-Backbone interact. energy: -0.072
local terms energy: -81.469684
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -217.220859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.220859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.220859 (E_RNA)
where:
Base-Base interactions energy: -137.786
where: short stacking energy: -62.606
Base-Backbone interact. energy: 0.301
local terms energy: -79.736351
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -25.571
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -376.287052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.287052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.287052 (E_RNA)
where:
Base-Base interactions energy: -257.096
where: short stacking energy: -96.139
Base-Backbone interact. energy: -0.185
local terms energy: -119.005822
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -26.310
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -33.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -322.936967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.936967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.936967 (E_RNA)
where:
Base-Base interactions energy: -217.524
where: short stacking energy: -101.031
Base-Backbone interact. energy: -1.431
local terms energy: -103.982264
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -26.922
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: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -322.711434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.711434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.711434 (E_RNA)
where:
Base-Base interactions energy: -218.208
where: short stacking energy: -92.425
Base-Backbone interact. energy: -0.825
local terms energy: -103.678227
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -24.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -313.211038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.211038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.211038 (E_RNA)
where:
Base-Base interactions energy: -204.624
where: short stacking energy: -100.052
Base-Backbone interact. energy: -0.106
local terms energy: -108.481463
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -31.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -280.892276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.892276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.892276 (E_RNA)
where:
Base-Base interactions energy: -183.575
where: short stacking energy: -84.981
Base-Backbone interact. energy: -0.049
local terms energy: -97.268394
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -24.932
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: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -224.820688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.820688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.820688 (E_RNA)
where:
Base-Base interactions energy: -127.313
where: short stacking energy: -72.804
Base-Backbone interact. energy: -0.642
local terms energy: -96.866071
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -20.332
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -250.247161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.247161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.247161 (E_RNA)
where:
Base-Base interactions energy: -159.808
where: short stacking energy: -61.029
Base-Backbone interact. energy: 1.367
local terms energy: -91.806036
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -18.074
tors. eta vs tors. theta energy: -12.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -247.498792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.498792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.498792 (E_RNA)
where:
Base-Base interactions energy: -160.998
where: short stacking energy: -66.408
Base-Backbone interact. energy: -0.171
local terms energy: -86.330404
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -233.749779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.749779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.749779 (E_RNA)
where:
Base-Base interactions energy: -144.522
where: short stacking energy: -55.765
Base-Backbone interact. energy: -0.127
local terms energy: -89.100597
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -14.117
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: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -203.578339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.578339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.578339 (E_RNA)
where:
Base-Base interactions energy: -122.207
where: short stacking energy: -55.390
Base-Backbone interact. energy: -0.519
local terms energy: -80.852992
where:
bonds (distance) C4'-P energy: -23.706
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -6.877
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: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -364.827799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.827799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.827799 (E_RNA)
where:
Base-Base interactions energy: -240.825
where: short stacking energy: -103.763
Base-Backbone interact. energy: -0.105
local terms energy: -123.897582
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -25.884
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -33.253
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: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -314.742871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.742871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.742871 (E_RNA)
where:
Base-Base interactions energy: -210.746
where: short stacking energy: -100.210
Base-Backbone interact. energy: -0.878
local terms energy: -103.119606
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -24.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -320.242076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.242076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.242076 (E_RNA)
where:
Base-Base interactions energy: -203.890
where: short stacking energy: -90.665
Base-Backbone interact. energy: -0.673
local terms energy: -115.679940
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -27.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -289.892624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.892624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.892624 (E_RNA)
where:
Base-Base interactions energy: -192.224
where: short stacking energy: -88.151
Base-Backbone interact. energy: -0.830
local terms energy: -96.837899
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -24.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -229.579076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.579076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.579076 (E_RNA)
where:
Base-Base interactions energy: -134.672
where: short stacking energy: -74.054
Base-Backbone interact. energy: -2.189
local terms energy: -92.717857
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -272.798624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.798624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.798624 (E_RNA)
where:
Base-Base interactions energy: -181.965
where: short stacking energy: -81.154
Base-Backbone interact. energy: -0.070
local terms energy: -90.762995
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -253.523649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.523649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.523649 (E_RNA)
where:
Base-Base interactions energy: -168.544
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.349
local terms energy: -84.630507
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -220.322509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.322509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.322509 (E_RNA)
where:
Base-Base interactions energy: -136.317
where: short stacking energy: -72.235
Base-Backbone interact. energy: -0.613
local terms energy: -83.393098
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -213.894778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.894778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.894778 (E_RNA)
where:
Base-Base interactions energy: -129.159
where: short stacking energy: -52.709
Base-Backbone interact. energy: -0.172
local terms energy: -84.563591
where:
bonds (distance) C4'-P energy: -25.158
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -10.891
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: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -216.854477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.854477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.854477 (E_RNA)
where:
Base-Base interactions energy: -140.589
where: short stacking energy: -62.880
Base-Backbone interact. energy: 0.584
local terms energy: -76.848892
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -11.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -366.999097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.999097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.999097 (E_RNA)
where:
Base-Base interactions energy: -245.628
where: short stacking energy: -93.917
Base-Backbone interact. energy: 0.385
local terms energy: -121.755418
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -33.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -322.082963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.082963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.082963 (E_RNA)
where:
Base-Base interactions energy: -215.273
where: short stacking energy: -81.932
Base-Backbone interact. energy: -1.835
local terms energy: -104.975111
where:
bonds (distance) C4'-P energy: -23.957
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -21.555
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: 3, replica: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -294.535272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.535272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.535272 (E_RNA)
where:
Base-Base interactions energy: -191.876
where: short stacking energy: -84.555
Base-Backbone interact. energy: -0.213
local terms energy: -102.446440
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -302.371223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.371223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.371223 (E_RNA)
where:
Base-Base interactions energy: -200.183
where: short stacking energy: -93.482
Base-Backbone interact. energy: -0.284
local terms energy: -101.903531
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -244.801550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.801550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.801550 (E_RNA)
where:
Base-Base interactions energy: -149.387
where: short stacking energy: -84.505
Base-Backbone interact. energy: -0.804
local terms energy: -94.609652
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -268.111984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.111984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.111984 (E_RNA)
where:
Base-Base interactions energy: -163.378
where: short stacking energy: -75.392
Base-Backbone interact. energy: -0.030
local terms energy: -104.703952
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -237.690357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.690357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.690357 (E_RNA)
where:
Base-Base interactions energy: -143.832
where: short stacking energy: -68.388
Base-Backbone interact. energy: -0.649
local terms energy: -93.209148
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -26.940
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -10.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -204.927843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.927843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.927843 (E_RNA)
where:
Base-Base interactions energy: -125.656
where: short stacking energy: -46.136
Base-Backbone interact. energy: -0.355
local terms energy: -78.916535
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -239.513220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.513220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.513220 (E_RNA)
where:
Base-Base interactions energy: -153.526
where: short stacking energy: -67.166
Base-Backbone interact. energy: -0.259
local terms energy: -85.727826
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -220.893829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.893829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.893829 (E_RNA)
where:
Base-Base interactions energy: -142.211
where: short stacking energy: -64.934
Base-Backbone interact. energy: 2.671
local terms energy: -81.354032
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -13.859
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: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -367.531221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.531221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.531221 (E_RNA)
where:
Base-Base interactions energy: -247.695
where: short stacking energy: -110.495
Base-Backbone interact. energy: -0.020
local terms energy: -119.817081
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -26.560
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -35.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -338.089979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.089979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.089979 (E_RNA)
where:
Base-Base interactions energy: -223.857
where: short stacking energy: -110.185
Base-Backbone interact. energy: 0.589
local terms energy: -114.821491
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -32.057
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: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -302.899171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.899171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.899171 (E_RNA)
where:
Base-Base interactions energy: -197.009
where: short stacking energy: -91.914
Base-Backbone interact. energy: -0.272
local terms energy: -105.617713
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -20.941
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -27.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -327.845895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.845895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.845895 (E_RNA)
where:
Base-Base interactions energy: -216.195
where: short stacking energy: -101.184
Base-Backbone interact. energy: -0.179
local terms energy: -111.471665
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -23.112
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -31.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -286.857851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.857851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.857851 (E_RNA)
where:
Base-Base interactions energy: -183.173
where: short stacking energy: -74.504
Base-Backbone interact. energy: -1.070
local terms energy: -102.614771
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -26.848
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -25.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -238.029887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.029887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.029887 (E_RNA)
where:
Base-Base interactions energy: -149.239
where: short stacking energy: -67.095
Base-Backbone interact. energy: 0.504
local terms energy: -89.294374
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -25.438
flat angles P-C4'-P energy: -16.645
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -251.337719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.337719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.337719 (E_RNA)
where:
Base-Base interactions energy: -153.247
where: short stacking energy: -82.817
Base-Backbone interact. energy: -0.211
local terms energy: -97.879845
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -220.469078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.469078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.469078 (E_RNA)
where:
Base-Base interactions energy: -144.670
where: short stacking energy: -73.664
Base-Backbone interact. energy: -0.602
local terms energy: -75.197152
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -15.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -248.538452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.538452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.538452 (E_RNA)
where:
Base-Base interactions energy: -152.548
where: short stacking energy: -78.592
Base-Backbone interact. energy: -0.103
local terms energy: -95.887569
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -20.623
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: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -199.711883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.711883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.711883 (E_RNA)
where:
Base-Base interactions energy: -117.829
where: short stacking energy: -58.901
Base-Backbone interact. energy: -0.512
local terms energy: -81.371073
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -11.429
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: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -366.586291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.586291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.586291 (E_RNA)
where:
Base-Base interactions energy: -248.655
where: short stacking energy: -113.468
Base-Backbone interact. energy: -0.006
local terms energy: -117.925774
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -36.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -334.940026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.940026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.940026 (E_RNA)
where:
Base-Base interactions energy: -225.494
where: short stacking energy: -99.159
Base-Backbone interact. energy: -1.640
local terms energy: -107.806471
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -22.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -303.974934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.974934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.974934 (E_RNA)
where:
Base-Base interactions energy: -197.911
where: short stacking energy: -100.282
Base-Backbone interact. energy: -0.003
local terms energy: -106.060496
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -23.198
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -27.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -315.090543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.090543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.090543 (E_RNA)
where:
Base-Base interactions energy: -201.415
where: short stacking energy: -103.830
Base-Backbone interact. energy: -0.268
local terms energy: -113.406742
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -23.248
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -29.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -279.135985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.135985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.135985 (E_RNA)
where:
Base-Base interactions energy: -183.973
where: short stacking energy: -87.582
Base-Backbone interact. energy: -0.810
local terms energy: -94.352768
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -27.233
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -254.793942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.793942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.793942 (E_RNA)
where:
Base-Base interactions energy: -167.244
where: short stacking energy: -74.760
Base-Backbone interact. energy: -0.382
local terms energy: -87.167850
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -241.660511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.660511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.660511 (E_RNA)
where:
Base-Base interactions energy: -152.981
where: short stacking energy: -65.595
Base-Backbone interact. energy: -0.306
local terms energy: -88.373492
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -10.554
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: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -240.706751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.706751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.706751 (E_RNA)
where:
Base-Base interactions energy: -153.969
where: short stacking energy: -69.165
Base-Backbone interact. energy: 0.424
local terms energy: -87.161944
where:
bonds (distance) C4'-P energy: -21.921
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -197.563653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.563653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.563653 (E_RNA)
where:
Base-Base interactions energy: -117.497
where: short stacking energy: -56.510
Base-Backbone interact. energy: -0.047
local terms energy: -80.019594
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -177.308753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.308753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.308753 (E_RNA)
where:
Base-Base interactions energy: -102.384
where: short stacking energy: -52.058
Base-Backbone interact. energy: -0.068
local terms energy: -74.856347
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -373.087044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.087044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.087044 (E_RNA)
where:
Base-Base interactions energy: -257.046
where: short stacking energy: -114.242
Base-Backbone interact. energy: -0.005
local terms energy: -116.035912
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -19.070
tors. eta vs tors. theta energy: -35.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -327.436046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.436046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.436046 (E_RNA)
where:
Base-Base interactions energy: -222.780
where: short stacking energy: -97.830
Base-Backbone interact. energy: 0.434
local terms energy: -105.090089
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -26.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -303.915914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.915914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.915914 (E_RNA)
where:
Base-Base interactions energy: -205.669
where: short stacking energy: -71.615
Base-Backbone interact. energy: -0.325
local terms energy: -97.921821
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -16.664
tors. eta vs tors. theta energy: -14.732
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: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -296.865335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.865335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.865335 (E_RNA)
where:
Base-Base interactions energy: -178.870
where: short stacking energy: -93.873
Base-Backbone interact. energy: -0.165
local terms energy: -117.829791
where:
bonds (distance) C4'-P energy: -24.947
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -24.516
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: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -281.892762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.892762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.892762 (E_RNA)
where:
Base-Base interactions energy: -184.189
where: short stacking energy: -85.895
Base-Backbone interact. energy: -0.644
local terms energy: -97.059188
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -285.458556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.458556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.458556 (E_RNA)
where:
Base-Base interactions energy: -188.448
where: short stacking energy: -80.331
Base-Backbone interact. energy: -0.295
local terms energy: -96.715311
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -24.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -244.515642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.515642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.515642 (E_RNA)
where:
Base-Base interactions energy: -155.762
where: short stacking energy: -65.949
Base-Backbone interact. energy: -0.349
local terms energy: -88.404824
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -10.835
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: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -215.586134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.586134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.586134 (E_RNA)
where:
Base-Base interactions energy: -124.424
where: short stacking energy: -66.115
Base-Backbone interact. energy: -0.201
local terms energy: -90.960333
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -197.964393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.964393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.964393 (E_RNA)
where:
Base-Base interactions energy: -123.134
where: short stacking energy: -61.715
Base-Backbone interact. energy: 0.955
local terms energy: -75.785926
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -188.060773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.060773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.060773 (E_RNA)
where:
Base-Base interactions energy: -119.676
where: short stacking energy: -63.892
Base-Backbone interact. energy: 1.552
local terms energy: -69.936276
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -5.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -380.900917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.900917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.900917 (E_RNA)
where:
Base-Base interactions energy: -266.697
where: short stacking energy: -114.265
Base-Backbone interact. energy: -0.048
local terms energy: -114.156594
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -31.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -336.872476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.872476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.872476 (E_RNA)
where:
Base-Base interactions energy: -227.056
where: short stacking energy: -102.489
Base-Backbone interact. energy: -0.573
local terms energy: -109.244264
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -26.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -310.053625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.053625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.053625 (E_RNA)
where:
Base-Base interactions energy: -205.899
where: short stacking energy: -82.894
Base-Backbone interact. energy: -0.049
local terms energy: -104.105651
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -28.362
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -18.209
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -275.078287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.078287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.078287 (E_RNA)
where:
Base-Base interactions energy: -173.879
where: short stacking energy: -74.312
Base-Backbone interact. energy: -0.780
local terms energy: -100.420198
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -22.433
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -291.066416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.066416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.066416 (E_RNA)
where:
Base-Base interactions energy: -199.874
where: short stacking energy: -100.653
Base-Backbone interact. energy: -0.008
local terms energy: -91.184611
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -22.038
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: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -274.565637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.565637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.565637 (E_RNA)
where:
Base-Base interactions energy: -177.793
where: short stacking energy: -82.549
Base-Backbone interact. energy: -1.070
local terms energy: -95.702270
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -261.699174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.699174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.699174 (E_RNA)
where:
Base-Base interactions energy: -159.840
where: short stacking energy: -69.160
Base-Backbone interact. energy: -0.878
local terms energy: -100.981597
where:
bonds (distance) C4'-P energy: -23.174
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -20.963
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -21.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -249.565358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.565358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.565358 (E_RNA)
where:
Base-Base interactions energy: -164.687
where: short stacking energy: -81.634
Base-Backbone interact. energy: -0.169
local terms energy: -84.708760
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -13.379
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: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -213.657125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.657125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.657125 (E_RNA)
where:
Base-Base interactions energy: -127.809
where: short stacking energy: -53.918
Base-Backbone interact. energy: 1.080
local terms energy: -86.928487
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -10.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -189.118927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.118927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.118927 (E_RNA)
where:
Base-Base interactions energy: -115.969
where: short stacking energy: -52.492
Base-Backbone interact. energy: -1.832
local terms energy: -71.317951
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -371.168669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.168669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.168669 (E_RNA)
where:
Base-Base interactions energy: -246.633
where: short stacking energy: -101.392
Base-Backbone interact. energy: -0.083
local terms energy: -124.453132
where:
bonds (distance) C4'-P energy: -26.280
bonds (distance) P-C4' energy: -27.302
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -34.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -334.357507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.357507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.357507 (E_RNA)
where:
Base-Base interactions energy: -226.787
where: short stacking energy: -98.626
Base-Backbone interact. energy: -1.451
local terms energy: -106.119232
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -27.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -300.733482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.733482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.733482 (E_RNA)
where:
Base-Base interactions energy: -197.900
where: short stacking energy: -82.466
Base-Backbone interact. energy: -0.078
local terms energy: -102.754651
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -290.257450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.257450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.257450 (E_RNA)
where:
Base-Base interactions energy: -188.351
where: short stacking energy: -80.423
Base-Backbone interact. energy: -0.605
local terms energy: -101.301634
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -25.037
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -20.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -274.189633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.189633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.189633 (E_RNA)
where:
Base-Base interactions energy: -179.602
where: short stacking energy: -83.208
Base-Backbone interact. energy: -0.410
local terms energy: -94.177103
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -255.441313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.441313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.441313 (E_RNA)
where:
Base-Base interactions energy: -158.040
where: short stacking energy: -81.956
Base-Backbone interact. energy: -0.268
local terms energy: -97.132990
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -255.892343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.892343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.892343 (E_RNA)
where:
Base-Base interactions energy: -167.765
where: short stacking energy: -78.467
Base-Backbone interact. energy: -0.087
local terms energy: -88.040548
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -246.141481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.141481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.141481 (E_RNA)
where:
Base-Base interactions energy: -154.472
where: short stacking energy: -70.944
Base-Backbone interact. energy: -0.229
local terms energy: -91.440160
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -21.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -238.711325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.711325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.711325 (E_RNA)
where:
Base-Base interactions energy: -157.667
where: short stacking energy: -63.529
Base-Backbone interact. energy: -0.830
local terms energy: -80.213975
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -17.264
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -200.420273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.420273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.420273 (E_RNA)
where:
Base-Base interactions energy: -123.868
where: short stacking energy: -65.637
Base-Backbone interact. energy: 4.333
local terms energy: -80.885490
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -371.724954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.724954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.724954 (E_RNA)
where:
Base-Base interactions energy: -251.859
where: short stacking energy: -103.083
Base-Backbone interact. energy: -0.043
local terms energy: -119.822916
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -21.760
flat angles P-C4'-P energy: -17.951
tors. eta vs tors. theta energy: -33.758
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: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -332.433449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.433449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.433449 (E_RNA)
where:
Base-Base interactions energy: -220.689
where: short stacking energy: -102.979
Base-Backbone interact. energy: 0.230
local terms energy: -111.974583
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -19.741
tors. eta vs tors. theta energy: -26.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -294.281519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.281519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.281519 (E_RNA)
where:
Base-Base interactions energy: -207.429
where: short stacking energy: -81.643
Base-Backbone interact. energy: 3.517
local terms energy: -90.370201
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -286.858616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.858616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.858616 (E_RNA)
where:
Base-Base interactions energy: -192.140
where: short stacking energy: -77.307
Base-Backbone interact. energy: -0.183
local terms energy: -94.536196
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -282.228932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.228932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.228932 (E_RNA)
where:
Base-Base interactions energy: -179.756
where: short stacking energy: -81.042
Base-Backbone interact. energy: -0.891
local terms energy: -101.581780
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -253.165275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.165275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.165275 (E_RNA)
where:
Base-Base interactions energy: -158.639
where: short stacking energy: -69.830
Base-Backbone interact. energy: 1.111
local terms energy: -95.636522
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -257.269607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.269607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.269607 (E_RNA)
where:
Base-Base interactions energy: -162.625
where: short stacking energy: -83.301
Base-Backbone interact. energy: -0.111
local terms energy: -94.533839
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -255.564370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.564370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.564370 (E_RNA)
where:
Base-Base interactions energy: -165.033
where: short stacking energy: -76.235
Base-Backbone interact. energy: -0.287
local terms energy: -90.244272
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -24.549
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -212.871671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.871671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.871671 (E_RNA)
where:
Base-Base interactions energy: -116.074
where: short stacking energy: -61.499
Base-Backbone interact. energy: -0.083
local terms energy: -96.714792
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -24.013
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -185.063217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.063217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.063217 (E_RNA)
where:
Base-Base interactions energy: -107.440
where: short stacking energy: -55.223
Base-Backbone interact. energy: 0.046
local terms energy: -77.668806
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -366.319074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.319074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.319074 (E_RNA)
where:
Base-Base interactions energy: -252.113
where: short stacking energy: -106.644
Base-Backbone interact. energy: 0.929
local terms energy: -115.135923
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -29.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -343.948796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.948796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.948796 (E_RNA)
where:
Base-Base interactions energy: -229.080
where: short stacking energy: -104.578
Base-Backbone interact. energy: -0.531
local terms energy: -114.337949
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -29.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -304.177692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.177692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.177692 (E_RNA)
where:
Base-Base interactions energy: -196.753
where: short stacking energy: -89.886
Base-Backbone interact. energy: -0.507
local terms energy: -106.917168
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -26.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -294.530539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.530539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.530539 (E_RNA)
where:
Base-Base interactions energy: -189.942
where: short stacking energy: -86.513
Base-Backbone interact. energy: -0.397
local terms energy: -104.191097
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -21.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -276.149971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.149971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.149971 (E_RNA)
where:
Base-Base interactions energy: -173.952
where: short stacking energy: -85.111
Base-Backbone interact. energy: -1.253
local terms energy: -100.945831
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -24.273
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -264.446188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.446188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.446188 (E_RNA)
where:
Base-Base interactions energy: -158.294
where: short stacking energy: -72.969
Base-Backbone interact. energy: -0.086
local terms energy: -106.066316
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -24.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -238.598351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.598351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.598351 (E_RNA)
where:
Base-Base interactions energy: -163.730
where: short stacking energy: -79.226
Base-Backbone interact. energy: -0.232
local terms energy: -74.636389
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -247.070721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.070721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.070721 (E_RNA)
where:
Base-Base interactions energy: -156.396
where: short stacking energy: -76.059
Base-Backbone interact. energy: -0.526
local terms energy: -90.149244
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -25.957
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -17.744
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -205.158816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.158816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.158816 (E_RNA)
where:
Base-Base interactions energy: -121.124
where: short stacking energy: -65.768
Base-Backbone interact. energy: 0.831
local terms energy: -84.866376
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -195.694757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.694757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.694757 (E_RNA)
where:
Base-Base interactions energy: -108.546
where: short stacking energy: -42.891
Base-Backbone interact. energy: -0.259
local terms energy: -86.889777
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -23.513
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -9.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -358.839313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.839313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.839313 (E_RNA)
where:
Base-Base interactions energy: -240.103
where: short stacking energy: -115.040
Base-Backbone interact. energy: -0.001
local terms energy: -118.735096
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -21.680
tors. eta vs tors. theta energy: -35.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -337.758067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.758067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.758067 (E_RNA)
where:
Base-Base interactions energy: -226.658
where: short stacking energy: -95.119
Base-Backbone interact. energy: -1.357
local terms energy: -109.742694
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -24.466
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -25.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -297.669097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.669097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.669097 (E_RNA)
where:
Base-Base interactions energy: -185.313
where: short stacking energy: -95.157
Base-Backbone interact. energy: -0.262
local terms energy: -112.093536
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -25.919
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: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -288.590540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.590540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.590540 (E_RNA)
where:
Base-Base interactions energy: -184.423
where: short stacking energy: -94.595
Base-Backbone interact. energy: -0.242
local terms energy: -103.925461
where:
bonds (distance) C4'-P energy: -23.502
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -23.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -265.364931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.364931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.364931 (E_RNA)
where:
Base-Base interactions energy: -176.840
where: short stacking energy: -85.193
Base-Backbone interact. energy: -0.290
local terms energy: -88.234983
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -19.553
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: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -273.109074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.109074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.109074 (E_RNA)
where:
Base-Base interactions energy: -176.745
where: short stacking energy: -78.874
Base-Backbone interact. energy: -0.298
local terms energy: -96.065659
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -259.499145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.499145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.499145 (E_RNA)
where:
Base-Base interactions energy: -162.217
where: short stacking energy: -80.378
Base-Backbone interact. energy: -0.271
local terms energy: -97.010851
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -203.200021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.200021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.200021 (E_RNA)
where:
Base-Base interactions energy: -130.523
where: short stacking energy: -52.704
Base-Backbone interact. energy: -0.418
local terms energy: -72.259286
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -5.595
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: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -238.647112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.647112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.647112 (E_RNA)
where:
Base-Base interactions energy: -154.410
where: short stacking energy: -65.484
Base-Backbone interact. energy: -0.057
local terms energy: -84.180529
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -25.757
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -9.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -194.307274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.307274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.307274 (E_RNA)
where:
Base-Base interactions energy: -119.660
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.042
local terms energy: -74.606061
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -360.832817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.832817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.832817 (E_RNA)
where:
Base-Base interactions energy: -240.066
where: short stacking energy: -102.229
Base-Backbone interact. energy: -0.019
local terms energy: -120.747932
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -23.906
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -31.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -334.761122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.761122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.761122 (E_RNA)
where:
Base-Base interactions energy: -222.688
where: short stacking energy: -87.053
Base-Backbone interact. energy: -1.527
local terms energy: -110.545846
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -23.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -290.539050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.539050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.539050 (E_RNA)
where:
Base-Base interactions energy: -184.072
where: short stacking energy: -81.601
Base-Backbone interact. energy: 1.387
local terms energy: -107.854460
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -21.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -289.926830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.926830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.926830 (E_RNA)
where:
Base-Base interactions energy: -185.695
where: short stacking energy: -96.228
Base-Backbone interact. energy: -0.156
local terms energy: -104.076103
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -26.008
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: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -267.926211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.926211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.926211 (E_RNA)
where:
Base-Base interactions energy: -169.762
where: short stacking energy: -83.480
Base-Backbone interact. energy: 1.369
local terms energy: -99.533622
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -271.622355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.622355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.622355 (E_RNA)
where:
Base-Base interactions energy: -176.538
where: short stacking energy: -85.551
Base-Backbone interact. energy: -0.241
local terms energy: -94.843026
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -20.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -220.108253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.108253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.108253 (E_RNA)
where:
Base-Base interactions energy: -134.268
where: short stacking energy: -47.392
Base-Backbone interact. energy: -0.612
local terms energy: -85.228357
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -25.056
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -240.400381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.400381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.400381 (E_RNA)
where:
Base-Base interactions energy: -156.159
where: short stacking energy: -70.023
Base-Backbone interact. energy: 0.122
local terms energy: -84.363229
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -231.616868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.616868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.616868 (E_RNA)
where:
Base-Base interactions energy: -146.414
where: short stacking energy: -61.186
Base-Backbone interact. energy: 2.556
local terms energy: -87.759039
where:
bonds (distance) C4'-P energy: -22.602
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -7.549
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -218.101013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.101013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.101013 (E_RNA)
where:
Base-Base interactions energy: -141.266
where: short stacking energy: -56.893
Base-Backbone interact. energy: -0.322
local terms energy: -76.513191
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -368.367262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.367262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.367262 (E_RNA)
where:
Base-Base interactions energy: -238.832
where: short stacking energy: -107.191
Base-Backbone interact. energy: -0.576
local terms energy: -128.959158
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -27.271
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -36.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -344.430164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.430164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.430164 (E_RNA)
where:
Base-Base interactions energy: -234.915
where: short stacking energy: -102.153
Base-Backbone interact. energy: -1.940
local terms energy: -107.575410
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -26.945
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -23.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -298.877750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.877750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.877750 (E_RNA)
where:
Base-Base interactions energy: -188.390
where: short stacking energy: -80.957
Base-Backbone interact. energy: -0.622
local terms energy: -109.866605
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -25.401
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -284.514364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.514364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.514364 (E_RNA)
where:
Base-Base interactions energy: -184.367
where: short stacking energy: -91.101
Base-Backbone interact. energy: -0.424
local terms energy: -99.723461
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -26.464
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -22.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -277.836058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.836058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.836058 (E_RNA)
where:
Base-Base interactions energy: -186.813
where: short stacking energy: -87.658
Base-Backbone interact. energy: 0.026
local terms energy: -91.048351
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -21.644
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: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -259.880366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.880366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.880366 (E_RNA)
where:
Base-Base interactions energy: -163.010
where: short stacking energy: -77.077
Base-Backbone interact. energy: -0.202
local terms energy: -96.669034
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -21.169
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -17.497
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: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -271.784434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.784434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.784434 (E_RNA)
where:
Base-Base interactions energy: -176.633
where: short stacking energy: -74.548
Base-Backbone interact. energy: -0.724
local terms energy: -94.427707
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -231.880002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.880002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.880002 (E_RNA)
where:
Base-Base interactions energy: -145.789
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.277
local terms energy: -85.814463
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -5.545
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -224.588934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.588934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.588934 (E_RNA)
where:
Base-Base interactions energy: -142.862
where: short stacking energy: -61.921
Base-Backbone interact. energy: -0.074
local terms energy: -81.652647
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -18.078
tors. eta vs tors. theta energy: -11.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -221.322266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.322266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.322266 (E_RNA)
where:
Base-Base interactions energy: -139.075
where: short stacking energy: -65.850
Base-Backbone interact. energy: 3.561
local terms energy: -85.808324
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -369.299547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.299547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.299547 (E_RNA)
where:
Base-Base interactions energy: -247.198
where: short stacking energy: -110.423
Base-Backbone interact. energy: -0.630
local terms energy: -121.471254
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -27.284
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -33.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -351.113406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.113406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.113406 (E_RNA)
where:
Base-Base interactions energy: -235.618
where: short stacking energy: -107.317
Base-Backbone interact. energy: -0.317
local terms energy: -115.178436
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -30.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -298.337926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.337926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.337926 (E_RNA)
where:
Base-Base interactions energy: -182.031
where: short stacking energy: -92.059
Base-Backbone interact. energy: -0.066
local terms energy: -116.240779
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -27.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -293.501671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.501671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.501671 (E_RNA)
where:
Base-Base interactions energy: -179.251
where: short stacking energy: -86.574
Base-Backbone interact. energy: 0.126
local terms energy: -114.376289
where:
bonds (distance) C4'-P energy: -26.688
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -24.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -271.603259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.603259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.603259 (E_RNA)
where:
Base-Base interactions energy: -184.650
where: short stacking energy: -82.844
Base-Backbone interact. energy: 2.379
local terms energy: -89.332611
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -260.125473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.125473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.125473 (E_RNA)
where:
Base-Base interactions energy: -166.328
where: short stacking energy: -66.930
Base-Backbone interact. energy: -0.246
local terms energy: -93.551251
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -18.951
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: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -266.439906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.439906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.439906 (E_RNA)
where:
Base-Base interactions energy: -180.810
where: short stacking energy: -78.407
Base-Backbone interact. energy: 0.562
local terms energy: -86.191276
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -244.426499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.426499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.426499 (E_RNA)
where:
Base-Base interactions energy: -170.271
where: short stacking energy: -82.707
Base-Backbone interact. energy: -0.052
local terms energy: -74.103366
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -7.812
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -16.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -237.590592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.590592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.590592 (E_RNA)
where:
Base-Base interactions energy: -150.848
where: short stacking energy: -71.905
Base-Backbone interact. energy: -1.328
local terms energy: -85.414409
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -210.942282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.942282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.942282 (E_RNA)
where:
Base-Base interactions energy: -136.195
where: short stacking energy: -54.817
Base-Backbone interact. energy: -0.378
local terms energy: -74.369828
where:
bonds (distance) C4'-P energy: -7.179
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -6.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -371.358533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.358533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.358533 (E_RNA)
where:
Base-Base interactions energy: -255.659
where: short stacking energy: -111.343
Base-Backbone interact. energy: -0.534
local terms energy: -115.165338
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -33.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -347.476599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.476599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.476599 (E_RNA)
where:
Base-Base interactions energy: -245.357
where: short stacking energy: -115.331
Base-Backbone interact. energy: -0.204
local terms energy: -101.915866
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -30.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -297.877659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.877659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.877659 (E_RNA)
where:
Base-Base interactions energy: -195.633
where: short stacking energy: -90.161
Base-Backbone interact. energy: -0.133
local terms energy: -102.111587
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -25.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -290.572013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.572013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.572013 (E_RNA)
where:
Base-Base interactions energy: -192.415
where: short stacking energy: -83.120
Base-Backbone interact. energy: -0.409
local terms energy: -97.747344
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -25.675
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -281.149209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.149209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.149209 (E_RNA)
where:
Base-Base interactions energy: -184.767
where: short stacking energy: -68.268
Base-Backbone interact. energy: -0.665
local terms energy: -95.717240
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -14.766
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: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -268.525457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.525457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.525457 (E_RNA)
where:
Base-Base interactions energy: -176.418
where: short stacking energy: -73.486
Base-Backbone interact. energy: -0.083
local terms energy: -92.023998
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -273.470057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.470057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.470057 (E_RNA)
where:
Base-Base interactions energy: -167.570
where: short stacking energy: -76.493
Base-Backbone interact. energy: -0.188
local terms energy: -105.712213
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -25.686
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -21.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -257.763446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.763446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.763446 (E_RNA)
where:
Base-Base interactions energy: -161.219
where: short stacking energy: -74.527
Base-Backbone interact. energy: -0.627
local terms energy: -95.917944
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -27.999
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -20.495
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: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -225.194253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.194253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.194253 (E_RNA)
where:
Base-Base interactions energy: -140.525
where: short stacking energy: -61.475
Base-Backbone interact. energy: -0.493
local terms energy: -84.176545
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -191.016114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.016114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.016114 (E_RNA)
where:
Base-Base interactions energy: -112.573
where: short stacking energy: -42.993
Base-Backbone interact. energy: 0.585
local terms energy: -79.028612
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -376.274599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.274599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.274599 (E_RNA)
where:
Base-Base interactions energy: -250.940
where: short stacking energy: -111.969
Base-Backbone interact. energy: -0.735
local terms energy: -124.600243
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: -34.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -336.627891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.627891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.627891 (E_RNA)
where:
Base-Base interactions energy: -224.595
where: short stacking energy: -98.961
Base-Backbone interact. energy: -0.419
local terms energy: -111.614175
where:
bonds (distance) C4'-P energy: -25.758
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -23.836
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: 6
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -299.725926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.725926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.725926 (E_RNA)
where:
Base-Base interactions energy: -193.713
where: short stacking energy: -86.765
Base-Backbone interact. energy: -0.413
local terms energy: -105.599857
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -24.068
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -280.890820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.890820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.890820 (E_RNA)
where:
Base-Base interactions energy: -173.316
where: short stacking energy: -89.383
Base-Backbone interact. energy: -0.368
local terms energy: -107.206591
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -21.674
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -23.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -279.470890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.470890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.470890 (E_RNA)
where:
Base-Base interactions energy: -173.264
where: short stacking energy: -80.830
Base-Backbone interact. energy: -0.801
local terms energy: -105.405927
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -24.895
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -20.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -236.620576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.620576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.620576 (E_RNA)
where:
Base-Base interactions energy: -146.016
where: short stacking energy: -65.727
Base-Backbone interact. energy: -0.466
local terms energy: -90.138527
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -246.718181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.718181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.718181 (E_RNA)
where:
Base-Base interactions energy: -161.319
where: short stacking energy: -68.919
Base-Backbone interact. energy: -0.815
local terms energy: -84.583867
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -17.636
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: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -255.623458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.623458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.623458 (E_RNA)
where:
Base-Base interactions energy: -165.085
where: short stacking energy: -73.044
Base-Backbone interact. energy: -0.257
local terms energy: -90.281609
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -13.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -223.219479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.219479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.219479 (E_RNA)
where:
Base-Base interactions energy: -138.506
where: short stacking energy: -63.248
Base-Backbone interact. energy: 1.133
local terms energy: -85.846561
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -10.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -227.522233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.522233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.522233 (E_RNA)
where:
Base-Base interactions energy: -153.456
where: short stacking energy: -61.102
Base-Backbone interact. energy: -0.531
local terms energy: -73.535177
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -378.750253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.750253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.750253 (E_RNA)
where:
Base-Base interactions energy: -262.785
where: short stacking energy: -110.325
Base-Backbone interact. energy: 0.177
local terms energy: -116.143000
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -25.254
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -34.297
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: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -343.959172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.959172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.959172 (E_RNA)
where:
Base-Base interactions energy: -242.021
where: short stacking energy: -102.892
Base-Backbone interact. energy: -0.109
local terms energy: -101.829494
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -26.277
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -26.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -306.242171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.242171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.242171 (E_RNA)
where:
Base-Base interactions energy: -204.422
where: short stacking energy: -100.544
Base-Backbone interact. energy: -0.116
local terms energy: -101.704326
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -280.336080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.336080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.336080 (E_RNA)
where:
Base-Base interactions energy: -189.479
where: short stacking energy: -96.342
Base-Backbone interact. energy: -0.010
local terms energy: -90.846791
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -23.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -274.994498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.994498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.994498 (E_RNA)
where:
Base-Base interactions energy: -174.988
where: short stacking energy: -86.930
Base-Backbone interact. energy: -0.128
local terms energy: -99.878708
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -24.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -262.981063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.981063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.981063 (E_RNA)
where:
Base-Base interactions energy: -166.172
where: short stacking energy: -68.026
Base-Backbone interact. energy: -0.804
local terms energy: -96.004832
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -13.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -247.042382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.042382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.042382 (E_RNA)
where:
Base-Base interactions energy: -163.318
where: short stacking energy: -75.715
Base-Backbone interact. energy: 3.336
local terms energy: -87.060822
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -222.445415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.445415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.445415 (E_RNA)
where:
Base-Base interactions energy: -128.083
where: short stacking energy: -57.968
Base-Backbone interact. energy: -0.047
local terms energy: -94.315322
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -230.624262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.624262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.624262 (E_RNA)
where:
Base-Base interactions energy: -148.876
where: short stacking energy: -61.153
Base-Backbone interact. energy: 0.320
local terms energy: -82.067709
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -224.578838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.578838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.578838 (E_RNA)
where:
Base-Base interactions energy: -144.365
where: short stacking energy: -69.111
Base-Backbone interact. energy: -0.637
local terms energy: -79.576683
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -369.989025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.989025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.989025 (E_RNA)
where:
Base-Base interactions energy: -248.357
where: short stacking energy: -111.318
Base-Backbone interact. energy: -0.118
local terms energy: -121.514248
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -25.074
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -32.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -328.288823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.288823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.288823 (E_RNA)
where:
Base-Base interactions energy: -225.152
where: short stacking energy: -88.192
Base-Backbone interact. energy: -0.641
local terms energy: -102.496067
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -20.801
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -26.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -294.686124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.686124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.686124 (E_RNA)
where:
Base-Base interactions energy: -191.232
where: short stacking energy: -93.070
Base-Backbone interact. energy: 0.116
local terms energy: -103.569665
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -25.515
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -23.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -294.722213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.722213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.722213 (E_RNA)
where:
Base-Base interactions energy: -202.510
where: short stacking energy: -92.899
Base-Backbone interact. energy: -0.425
local terms energy: -91.786881
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -24.538
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -22.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -274.624807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.624807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.624807 (E_RNA)
where:
Base-Base interactions energy: -178.354
where: short stacking energy: -69.011
Base-Backbone interact. energy: -1.672
local terms energy: -94.598665
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -249.185982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.185982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.185982 (E_RNA)
where:
Base-Base interactions energy: -159.222
where: short stacking energy: -70.121
Base-Backbone interact. energy: -0.312
local terms energy: -89.652343
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -25.843
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -236.731941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.731941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.731941 (E_RNA)
where:
Base-Base interactions energy: -160.934
where: short stacking energy: -73.480
Base-Backbone interact. energy: -0.221
local terms energy: -75.576855
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -252.296706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.296706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.296706 (E_RNA)
where:
Base-Base interactions energy: -162.146
where: short stacking energy: -78.262
Base-Backbone interact. energy: 0.698
local terms energy: -90.848772
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -263.829687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.829687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.829687 (E_RNA)
where:
Base-Base interactions energy: -166.768
where: short stacking energy: -68.452
Base-Backbone interact. energy: -1.268
local terms energy: -95.794266
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -222.803600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.803600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.803600 (E_RNA)
where:
Base-Base interactions energy: -139.423
where: short stacking energy: -59.826
Base-Backbone interact. energy: -0.343
local terms energy: -83.038078
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -13.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -366.374230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.374230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.374230 (E_RNA)
where:
Base-Base interactions energy: -241.689
where: short stacking energy: -118.732
Base-Backbone interact. energy: -0.642
local terms energy: -124.043059
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -24.068
flat angles C4'-P-C4' energy: -23.462
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -34.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -339.144941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.144941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.144941 (E_RNA)
where:
Base-Base interactions energy: -235.026
where: short stacking energy: -97.665
Base-Backbone interact. energy: -0.217
local terms energy: -103.902070
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -22.971
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -27.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -287.454580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.454580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.454580 (E_RNA)
where:
Base-Base interactions energy: -184.270
where: short stacking energy: -95.154
Base-Backbone interact. energy: -0.027
local terms energy: -103.157997
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -25.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -287.138057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.138057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.138057 (E_RNA)
where:
Base-Base interactions energy: -181.273
where: short stacking energy: -76.354
Base-Backbone interact. energy: -0.337
local terms energy: -105.528280
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -25.496
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -18.077
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -283.023925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.023925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.023925 (E_RNA)
where:
Base-Base interactions energy: -183.025
where: short stacking energy: -84.747
Base-Backbone interact. energy: -0.202
local terms energy: -99.796639
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -23.914
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -241.205690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.205690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.205690 (E_RNA)
where:
Base-Base interactions energy: -150.934
where: short stacking energy: -67.386
Base-Backbone interact. energy: -0.152
local terms energy: -90.119295
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -16.792
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: 259
Temperature: 1.200000
Total energy: -228.647851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.647851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.647851 (E_RNA)
where:
Base-Base interactions energy: -159.494
where: short stacking energy: -66.944
Base-Backbone interact. energy: 1.289
local terms energy: -70.443053
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -7.222
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: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -241.071162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.071162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.071162 (E_RNA)
where:
Base-Base interactions energy: -150.928
where: short stacking energy: -68.956
Base-Backbone interact. energy: 0.326
local terms energy: -90.469324
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -246.445784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.445784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.445784 (E_RNA)
where:
Base-Base interactions energy: -155.332
where: short stacking energy: -71.417
Base-Backbone interact. energy: -0.010
local terms energy: -91.104258
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -249.179748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.179748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.179748 (E_RNA)
where:
Base-Base interactions energy: -161.477
where: short stacking energy: -81.919
Base-Backbone interact. energy: 0.223
local terms energy: -87.925398
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -363.030174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.030174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.030174 (E_RNA)
where:
Base-Base interactions energy: -246.429
where: short stacking energy: -118.691
Base-Backbone interact. energy: -0.125
local terms energy: -116.475733
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -37.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -347.306424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.306424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.306424 (E_RNA)
where:
Base-Base interactions energy: -227.586
where: short stacking energy: -105.982
Base-Backbone interact. energy: -0.499
local terms energy: -119.222076
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -18.359
tors. eta vs tors. theta energy: -32.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -288.849735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.849735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.849735 (E_RNA)
where:
Base-Base interactions energy: -180.079
where: short stacking energy: -91.262
Base-Backbone interact. energy: -0.082
local terms energy: -108.688408
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -28.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -293.851911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.851911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.851911 (E_RNA)
where:
Base-Base interactions energy: -175.860
where: short stacking energy: -84.199
Base-Backbone interact. energy: -2.126
local terms energy: -115.866072
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -26.912
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -27.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -265.758608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.758608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.758608 (E_RNA)
where:
Base-Base interactions energy: -166.563
where: short stacking energy: -77.430
Base-Backbone interact. energy: -0.035
local terms energy: -99.161245
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -255.885406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.885406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.885406 (E_RNA)
where:
Base-Base interactions energy: -157.494
where: short stacking energy: -70.522
Base-Backbone interact. energy: -0.246
local terms energy: -98.145677
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -25.567
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -238.880409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.880409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.880409 (E_RNA)
where:
Base-Base interactions energy: -151.313
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.012
local terms energy: -87.555853
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -15.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -242.538104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.538104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.538104 (E_RNA)
where:
Base-Base interactions energy: -165.426
where: short stacking energy: -81.037
Base-Backbone interact. energy: 0.280
local terms energy: -77.392245
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -221.493538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.493538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.493538 (E_RNA)
where:
Base-Base interactions energy: -141.791
where: short stacking energy: -55.375
Base-Backbone interact. energy: -0.428
local terms energy: -79.274744
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -8.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -213.931681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.931681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.931681 (E_RNA)
where:
Base-Base interactions energy: -140.503
where: short stacking energy: -60.534
Base-Backbone interact. energy: -0.113
local terms energy: -73.315744
where:
bonds (distance) C4'-P energy: -21.227
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -354.473946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.473946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.473946 (E_RNA)
where:
Base-Base interactions energy: -231.369
where: short stacking energy: -107.394
Base-Backbone interact. energy: -0.420
local terms energy: -122.684939
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -34.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -338.312562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.312562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.312562 (E_RNA)
where:
Base-Base interactions energy: -232.671
where: short stacking energy: -101.175
Base-Backbone interact. energy: -0.291
local terms energy: -105.350733
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -23.003
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -34.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -291.282992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.282992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.282992 (E_RNA)
where:
Base-Base interactions energy: -185.238
where: short stacking energy: -91.058
Base-Backbone interact. energy: -0.043
local terms energy: -106.001587
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -25.659
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -23.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -285.485987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.485987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.485987 (E_RNA)
where:
Base-Base interactions energy: -177.004
where: short stacking energy: -86.886
Base-Backbone interact. energy: -0.090
local terms energy: -108.391624
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -24.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -271.423031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.423031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.423031 (E_RNA)
where:
Base-Base interactions energy: -172.032
where: short stacking energy: -84.263
Base-Backbone interact. energy: -0.074
local terms energy: -99.316807
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -25.527
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -23.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -266.024028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.024028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.024028 (E_RNA)
where:
Base-Base interactions energy: -173.215
where: short stacking energy: -78.330
Base-Backbone interact. energy: -0.217
local terms energy: -92.592644
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -19.403
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: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -216.462177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.462177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.462177 (E_RNA)
where:
Base-Base interactions energy: -134.201
where: short stacking energy: -68.864
Base-Backbone interact. energy: -0.112
local terms energy: -82.149621
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -198.765154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.765154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.765154 (E_RNA)
where:
Base-Base interactions energy: -124.604
where: short stacking energy: -61.320
Base-Backbone interact. energy: 0.134
local terms energy: -74.294667
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -237.396054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.396054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.396054 (E_RNA)
where:
Base-Base interactions energy: -146.645
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.336
local terms energy: -90.415340
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -166.058263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.058263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.058263 (E_RNA)
where:
Base-Base interactions energy: -95.093
where: short stacking energy: -31.992
Base-Backbone interact. energy: -1.158
local terms energy: -69.807128
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: 1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -361.153540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.153540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.153540 (E_RNA)
where:
Base-Base interactions energy: -237.736
where: short stacking energy: -102.720
Base-Backbone interact. energy: 0.996
local terms energy: -124.413801
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -26.347
flat angles C4'-P-C4' energy: -27.824
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -32.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -341.088369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.088369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.088369 (E_RNA)
where:
Base-Base interactions energy: -231.788
where: short stacking energy: -106.303
Base-Backbone interact. energy: -0.681
local terms energy: -108.618929
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -23.031
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -301.465050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.465050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.465050 (E_RNA)
where:
Base-Base interactions energy: -190.935
where: short stacking energy: -97.923
Base-Backbone interact. energy: -0.458
local terms energy: -110.072322
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -30.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -288.275305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.275305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.275305 (E_RNA)
where:
Base-Base interactions energy: -190.291
where: short stacking energy: -96.249
Base-Backbone interact. energy: -0.529
local terms energy: -97.455368
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -25.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -265.895095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.895095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.895095 (E_RNA)
where:
Base-Base interactions energy: -161.504
where: short stacking energy: -76.368
Base-Backbone interact. energy: -0.090
local terms energy: -104.300218
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -15.796
tors. eta vs tors. theta energy: -18.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -256.176007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.176007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.176007 (E_RNA)
where:
Base-Base interactions energy: -169.801
where: short stacking energy: -84.082
Base-Backbone interact. energy: -0.215
local terms energy: -86.159981
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -217.284528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.284528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.284528 (E_RNA)
where:
Base-Base interactions energy: -144.783
where: short stacking energy: -71.335
Base-Backbone interact. energy: 0.952
local terms energy: -73.453194
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -8.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -218.514369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.514369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.514369 (E_RNA)
where:
Base-Base interactions energy: -132.863
where: short stacking energy: -75.972
Base-Backbone interact. energy: -1.175
local terms energy: -84.476628
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -7.178
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -187.608631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.608631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.608631 (E_RNA)
where:
Base-Base interactions energy: -109.691
where: short stacking energy: -51.118
Base-Backbone interact. energy: -1.284
local terms energy: -76.634188
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -225.858762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.858762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.858762 (E_RNA)
where:
Base-Base interactions energy: -139.465
where: short stacking energy: -59.135
Base-Backbone interact. energy: 0.270
local terms energy: -86.663746
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -11.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -373.925205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.925205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.925205 (E_RNA)
where:
Base-Base interactions energy: -252.866
where: short stacking energy: -109.099
Base-Backbone interact. energy: -0.710
local terms energy: -120.348845
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -21.445
flat angles C4'-P-C4' energy: -24.968
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -33.819
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: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -333.385592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.385592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.385592 (E_RNA)
where:
Base-Base interactions energy: -231.178
where: short stacking energy: -100.814
Base-Backbone interact. energy: 0.703
local terms energy: -102.910708
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -24.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -304.734278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.734278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.734278 (E_RNA)
where:
Base-Base interactions energy: -197.485
where: short stacking energy: -90.848
Base-Backbone interact. energy: -0.208
local terms energy: -107.041417
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -27.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -281.405229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.405229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.405229 (E_RNA)
where:
Base-Base interactions energy: -178.654
where: short stacking energy: -83.069
Base-Backbone interact. energy: -0.341
local terms energy: -102.410014
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -280.977247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.977247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.977247 (E_RNA)
where:
Base-Base interactions energy: -173.758
where: short stacking energy: -69.272
Base-Backbone interact. energy: -0.032
local terms energy: -107.186658
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -272.775711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.775711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.775711 (E_RNA)
where:
Base-Base interactions energy: -172.478
where: short stacking energy: -73.853
Base-Backbone interact. energy: -0.553
local terms energy: -99.745178
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -216.084319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.084319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.084319 (E_RNA)
where:
Base-Base interactions energy: -143.258
where: short stacking energy: -68.173
Base-Backbone interact. energy: -0.417
local terms energy: -72.408900
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -199.355682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.355682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.355682 (E_RNA)
where:
Base-Base interactions energy: -121.422
where: short stacking energy: -58.400
Base-Backbone interact. energy: -0.014
local terms energy: -77.919512
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -10.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -194.678190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.678190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.678190 (E_RNA)
where:
Base-Base interactions energy: -119.441
where: short stacking energy: -64.714
Base-Backbone interact. energy: -0.089
local terms energy: -75.147836
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -233.035867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.035867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.035867 (E_RNA)
where:
Base-Base interactions energy: -149.670
where: short stacking energy: -71.188
Base-Backbone interact. energy: 0.615
local terms energy: -83.981168
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -364.955789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.955789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.955789 (E_RNA)
where:
Base-Base interactions energy: -239.924
where: short stacking energy: -110.455
Base-Backbone interact. energy: -0.040
local terms energy: -124.992137
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -31.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -334.436040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.436040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.436040 (E_RNA)
where:
Base-Base interactions energy: -212.267
where: short stacking energy: -90.358
Base-Backbone interact. energy: -0.677
local terms energy: -121.492819
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -26.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -295.914318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.914318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.914318 (E_RNA)
where:
Base-Base interactions energy: -190.250
where: short stacking energy: -99.085
Base-Backbone interact. energy: -0.140
local terms energy: -105.524433
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -25.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -286.529715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.529715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.529715 (E_RNA)
where:
Base-Base interactions energy: -179.735
where: short stacking energy: -95.081
Base-Backbone interact. energy: 0.086
local terms energy: -106.880688
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -25.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -283.410476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.410476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.410476 (E_RNA)
where:
Base-Base interactions energy: -180.281
where: short stacking energy: -89.663
Base-Backbone interact. energy: 1.142
local terms energy: -104.271361
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -27.133
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -275.723525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.723525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.723525 (E_RNA)
where:
Base-Base interactions energy: -175.391
where: short stacking energy: -74.264
Base-Backbone interact. energy: 0.713
local terms energy: -101.045608
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -231.601070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.601070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.601070 (E_RNA)
where:
Base-Base interactions energy: -142.234
where: short stacking energy: -57.535
Base-Backbone interact. energy: -0.098
local terms energy: -89.269033
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -231.589938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.589938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.589938 (E_RNA)
where:
Base-Base interactions energy: -156.193
where: short stacking energy: -49.112
Base-Backbone interact. energy: -1.232
local terms energy: -74.164799
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -25.643
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -240.533648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.533648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.533648 (E_RNA)
where:
Base-Base interactions energy: -148.039
where: short stacking energy: -75.321
Base-Backbone interact. energy: -0.064
local terms energy: -92.430361
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -207.323585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.323585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.323585 (E_RNA)
where:
Base-Base interactions energy: -126.532
where: short stacking energy: -77.304
Base-Backbone interact. energy: -1.381
local terms energy: -79.410636
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -354.228906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.228906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.228906 (E_RNA)
where:
Base-Base interactions energy: -238.420
where: short stacking energy: -112.285
Base-Backbone interact. energy: -0.061
local terms energy: -115.748141
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -32.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -339.474236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.474236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.474236 (E_RNA)
where:
Base-Base interactions energy: -220.940
where: short stacking energy: -106.357
Base-Backbone interact. energy: -0.152
local terms energy: -118.382957
where:
bonds (distance) C4'-P energy: -25.559
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -29.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -297.464780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.464780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.464780 (E_RNA)
where:
Base-Base interactions energy: -184.340
where: short stacking energy: -93.962
Base-Backbone interact. energy: -0.128
local terms energy: -112.996608
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -25.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -272.526407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.526407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.526407 (E_RNA)
where:
Base-Base interactions energy: -177.446
where: short stacking energy: -69.918
Base-Backbone interact. energy: -1.085
local terms energy: -93.995499
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -26.724
flat angles C4'-P-C4' energy: -23.182
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -291.353379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.353379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.353379 (E_RNA)
where:
Base-Base interactions energy: -194.295
where: short stacking energy: -81.253
Base-Backbone interact. energy: -0.384
local terms energy: -96.674305
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -18.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -260.474619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.474619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.474619 (E_RNA)
where:
Base-Base interactions energy: -163.804
where: short stacking energy: -76.159
Base-Backbone interact. energy: -0.198
local terms energy: -96.472239
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -20.581
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: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -255.583245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.583245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.583245 (E_RNA)
where:
Base-Base interactions energy: -166.666
where: short stacking energy: -76.782
Base-Backbone interact. energy: -0.615
local terms energy: -88.302188
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -238.464939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.464939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.464939 (E_RNA)
where:
Base-Base interactions energy: -149.800
where: short stacking energy: -67.746
Base-Backbone interact. energy: -0.359
local terms energy: -88.305820
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -11.309
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: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -238.125144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.125144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.125144 (E_RNA)
where:
Base-Base interactions energy: -160.023
where: short stacking energy: -53.962
Base-Backbone interact. energy: 0.886
local terms energy: -78.987777
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -8.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -196.870707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.870707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.870707 (E_RNA)
where:
Base-Base interactions energy: -120.869
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.350
local terms energy: -75.651770
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -373.108305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.108305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.108305 (E_RNA)
where:
Base-Base interactions energy: -253.162
where: short stacking energy: -107.650
Base-Backbone interact. energy: -0.493
local terms energy: -119.453699
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -24.167
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -36.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -356.999552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.999552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.999552 (E_RNA)
where:
Base-Base interactions energy: -248.122
where: short stacking energy: -109.602
Base-Backbone interact. energy: -0.606
local terms energy: -108.271518
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -25.960
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -27.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -280.659886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.659886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.659886 (E_RNA)
where:
Base-Base interactions energy: -182.204
where: short stacking energy: -94.161
Base-Backbone interact. energy: -0.146
local terms energy: -98.310434
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -281.343713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.343713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.343713 (E_RNA)
where:
Base-Base interactions energy: -172.800
where: short stacking energy: -84.409
Base-Backbone interact. energy: -0.148
local terms energy: -108.395570
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -25.872
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -21.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -275.561343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.561343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.561343 (E_RNA)
where:
Base-Base interactions energy: -176.924
where: short stacking energy: -80.399
Base-Backbone interact. energy: -0.100
local terms energy: -98.537872
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -262.905827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.905827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.905827 (E_RNA)
where:
Base-Base interactions energy: -165.789
where: short stacking energy: -76.042
Base-Backbone interact. energy: 1.158
local terms energy: -98.274263
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -22.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -253.281582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.281582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.281582 (E_RNA)
where:
Base-Base interactions energy: -164.252
where: short stacking energy: -79.723
Base-Backbone interact. energy: -0.085
local terms energy: -88.945017
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -253.728912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.728912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.728912 (E_RNA)
where:
Base-Base interactions energy: -166.738
where: short stacking energy: -83.266
Base-Backbone interact. energy: -0.090
local terms energy: -86.901571
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -19.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -203.986125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.986125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.986125 (E_RNA)
where:
Base-Base interactions energy: -122.784
where: short stacking energy: -53.353
Base-Backbone interact. energy: -0.256
local terms energy: -80.946406
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -12.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -197.219369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.219369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.219369 (E_RNA)
where:
Base-Base interactions energy: -118.541
where: short stacking energy: -63.031
Base-Backbone interact. energy: -0.829
local terms energy: -77.849566
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -375.308908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.308908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.308908 (E_RNA)
where:
Base-Base interactions energy: -261.344
where: short stacking energy: -112.046
Base-Backbone interact. energy: -0.462
local terms energy: -113.502897
where:
bonds (distance) C4'-P energy: -23.802
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -33.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -341.719594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.719594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.719594 (E_RNA)
where:
Base-Base interactions energy: -232.726
where: short stacking energy: -92.398
Base-Backbone interact. energy: -0.259
local terms energy: -108.734488
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -17.170
tors. eta vs tors. theta energy: -24.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -294.783372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.783372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.783372 (E_RNA)
where:
Base-Base interactions energy: -184.345
where: short stacking energy: -96.731
Base-Backbone interact. energy: -0.089
local terms energy: -110.348993
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -24.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -269.318661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.318661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.318661 (E_RNA)
where:
Base-Base interactions energy: -174.297
where: short stacking energy: -78.927
Base-Backbone interact. energy: -0.023
local terms energy: -94.998761
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -277.479630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.479630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.479630 (E_RNA)
where:
Base-Base interactions energy: -179.133
where: short stacking energy: -80.129
Base-Backbone interact. energy: -0.092
local terms energy: -98.254080
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -20.453
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: 267
Temperature: 1.150000
Total energy: -250.293281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.293281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.293281 (E_RNA)
where:
Base-Base interactions energy: -160.687
where: short stacking energy: -65.488
Base-Backbone interact. energy: -0.472
local terms energy: -89.133616
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -248.215959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.215959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.215959 (E_RNA)
where:
Base-Base interactions energy: -157.862
where: short stacking energy: -76.148
Base-Backbone interact. energy: -0.211
local terms energy: -90.142699
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -240.441078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.441078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.441078 (E_RNA)
where:
Base-Base interactions energy: -154.305
where: short stacking energy: -57.584
Base-Backbone interact. energy: 0.734
local terms energy: -86.869471
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -206.572440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.572440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.572440 (E_RNA)
where:
Base-Base interactions energy: -123.541
where: short stacking energy: -64.297
Base-Backbone interact. energy: -0.837
local terms energy: -82.194453
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -224.675684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.675684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.675684 (E_RNA)
where:
Base-Base interactions energy: -152.433
where: short stacking energy: -63.020
Base-Backbone interact. energy: -0.134
local terms energy: -72.108802
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -358.858560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.858560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.858560 (E_RNA)
where:
Base-Base interactions energy: -242.781
where: short stacking energy: -109.564
Base-Backbone interact. energy: 0.543
local terms energy: -116.620191
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -24.953
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -29.361
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: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -362.224647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.224647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.224647 (E_RNA)
where:
Base-Base interactions energy: -245.911
where: short stacking energy: -103.945
Base-Backbone interact. energy: -0.422
local terms energy: -115.891219
where:
bonds (distance) C4'-P energy: -23.552
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -31.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -308.184397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.184397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.184397 (E_RNA)
where:
Base-Base interactions energy: -192.637
where: short stacking energy: -101.666
Base-Backbone interact. energy: -0.259
local terms energy: -115.287763
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -25.689
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -26.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -288.946034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.946034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.946034 (E_RNA)
where:
Base-Base interactions energy: -190.025
where: short stacking energy: -87.299
Base-Backbone interact. energy: -0.032
local terms energy: -98.889067
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -27.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -285.032023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.032023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.032023 (E_RNA)
where:
Base-Base interactions energy: -191.366
where: short stacking energy: -90.361
Base-Backbone interact. energy: -0.090
local terms energy: -93.575747
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -19.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -264.918044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.918044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.918044 (E_RNA)
where:
Base-Base interactions energy: -158.442
where: short stacking energy: -80.607
Base-Backbone interact. energy: -0.282
local terms energy: -106.194002
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -24.802
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -24.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -238.160846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.160846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.160846 (E_RNA)
where:
Base-Base interactions energy: -147.956
where: short stacking energy: -64.957
Base-Backbone interact. energy: -0.203
local terms energy: -90.001803
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -246.794712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.794712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.794712 (E_RNA)
where:
Base-Base interactions energy: -156.982
where: short stacking energy: -66.991
Base-Backbone interact. energy: -0.003
local terms energy: -89.809522
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -13.268
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: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -232.022322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.022322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.022322 (E_RNA)
where:
Base-Base interactions energy: -152.657
where: short stacking energy: -65.702
Base-Backbone interact. energy: -0.186
local terms energy: -79.178981
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -223.761007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.761007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.761007 (E_RNA)
where:
Base-Base interactions energy: -139.443
where: short stacking energy: -71.773
Base-Backbone interact. energy: -0.384
local terms energy: -83.934324
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -19.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -355.945064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.945064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.945064 (E_RNA)
where:
Base-Base interactions energy: -245.263
where: short stacking energy: -108.084
Base-Backbone interact. energy: -0.385
local terms energy: -110.296770
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -28.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -367.691715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.691715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.691715 (E_RNA)
where:
Base-Base interactions energy: -250.962
where: short stacking energy: -100.669
Base-Backbone interact. energy: -0.232
local terms energy: -116.498136
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -34.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -307.800016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.800016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.800016 (E_RNA)
where:
Base-Base interactions energy: -210.233
where: short stacking energy: -98.956
Base-Backbone interact. energy: -0.070
local terms energy: -97.497267
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -290.019845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.019845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.019845 (E_RNA)
where:
Base-Base interactions energy: -183.004
where: short stacking energy: -75.016
Base-Backbone interact. energy: -1.952
local terms energy: -105.063305
where:
bonds (distance) C4'-P energy: -24.160
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -276.694886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.694886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.694886 (E_RNA)
where:
Base-Base interactions energy: -172.702
where: short stacking energy: -95.372
Base-Backbone interact. energy: -0.403
local terms energy: -103.590389
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -29.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -271.894273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.894273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.894273 (E_RNA)
where:
Base-Base interactions energy: -181.740
where: short stacking energy: -79.137
Base-Backbone interact. energy: -0.586
local terms energy: -89.568040
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -236.661295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.661295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.661295 (E_RNA)
where:
Base-Base interactions energy: -148.600
where: short stacking energy: -68.434
Base-Backbone interact. energy: -0.274
local terms energy: -87.786988
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -250.025527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.025527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.025527 (E_RNA)
where:
Base-Base interactions energy: -168.650
where: short stacking energy: -84.734
Base-Backbone interact. energy: -0.270
local terms energy: -81.105958
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -235.314971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.314971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.314971 (E_RNA)
where:
Base-Base interactions energy: -146.702
where: short stacking energy: -64.565
Base-Backbone interact. energy: -0.184
local terms energy: -88.429113
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -22.703
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -210.587201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.587201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.587201 (E_RNA)
where:
Base-Base interactions energy: -160.137
where: short stacking energy: -68.475
Base-Backbone interact. energy: -0.206
local terms energy: -50.244316
where:
bonds (distance) C4'-P energy: -2.882
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -373.134805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.134805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.134805 (E_RNA)
where:
Base-Base interactions energy: -254.408
where: short stacking energy: -120.496
Base-Backbone interact. energy: -0.405
local terms energy: -118.321907
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -26.714
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -34.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -355.976200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.976200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.976200 (E_RNA)
where:
Base-Base interactions energy: -243.366
where: short stacking energy: -103.006
Base-Backbone interact. energy: -1.018
local terms energy: -111.592496
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -29.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -305.798114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.798114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.798114 (E_RNA)
where:
Base-Base interactions energy: -200.037
where: short stacking energy: -93.859
Base-Backbone interact. energy: -1.782
local terms energy: -103.978764
where:
bonds (distance) C4'-P energy: -23.145
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -24.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -287.000426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.000426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.000426 (E_RNA)
where:
Base-Base interactions energy: -186.807
where: short stacking energy: -98.940
Base-Backbone interact. energy: -0.010
local terms energy: -100.183897
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -24.946
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -26.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -279.497752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.497752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.497752 (E_RNA)
where:
Base-Base interactions energy: -182.653
where: short stacking energy: -91.336
Base-Backbone interact. energy: -0.060
local terms energy: -96.785224
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -24.401
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -19.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -272.874829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.874829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.874829 (E_RNA)
where:
Base-Base interactions energy: -170.178
where: short stacking energy: -84.237
Base-Backbone interact. energy: -0.723
local terms energy: -101.974071
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -23.840
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -21.768
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: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -261.817175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.817175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.817175 (E_RNA)
where:
Base-Base interactions energy: -165.239
where: short stacking energy: -83.903
Base-Backbone interact. energy: -0.916
local terms energy: -95.662351
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -22.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -239.444771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.444771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.444771 (E_RNA)
where:
Base-Base interactions energy: -148.267
where: short stacking energy: -60.778
Base-Backbone interact. energy: -0.103
local terms energy: -91.074798
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -15.469
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: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -232.587742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.587742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.587742 (E_RNA)
where:
Base-Base interactions energy: -152.494
where: short stacking energy: -61.908
Base-Backbone interact. energy: -0.414
local terms energy: -79.679875
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -227.244471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.244471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.244471 (E_RNA)
where:
Base-Base interactions energy: -141.388
where: short stacking energy: -59.917
Base-Backbone interact. energy: -0.069
local terms energy: -85.787657
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -370.485416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.485416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.485416 (E_RNA)
where:
Base-Base interactions energy: -253.325
where: short stacking energy: -111.732
Base-Backbone interact. energy: -0.070
local terms energy: -117.090771
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -24.552
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -35.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -334.879710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.879710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.879710 (E_RNA)
where:
Base-Base interactions energy: -230.382
where: short stacking energy: -96.451
Base-Backbone interact. energy: -0.656
local terms energy: -103.841640
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -26.021
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -22.110
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: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -300.762586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.762586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.762586 (E_RNA)
where:
Base-Base interactions energy: -197.344
where: short stacking energy: -85.608
Base-Backbone interact. energy: -0.266
local terms energy: -103.152539
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -22.663
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -280.951246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.951246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.951246 (E_RNA)
where:
Base-Base interactions energy: -183.268
where: short stacking energy: -73.988
Base-Backbone interact. energy: -0.355
local terms energy: -97.328380
where:
bonds (distance) C4'-P energy: -22.232
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -274.215491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.215491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.215491 (E_RNA)
where:
Base-Base interactions energy: -177.698
where: short stacking energy: -90.034
Base-Backbone interact. energy: -0.116
local terms energy: -96.401568
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -21.008
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -256.600080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.600080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.600080 (E_RNA)
where:
Base-Base interactions energy: -169.501
where: short stacking energy: -76.103
Base-Backbone interact. energy: -0.783
local terms energy: -86.315263
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -252.896665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.896665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.896665 (E_RNA)
where:
Base-Base interactions energy: -167.833
where: short stacking energy: -72.478
Base-Backbone interact. energy: -0.905
local terms energy: -84.158939
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -11.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -252.205511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.205511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.205511 (E_RNA)
where:
Base-Base interactions energy: -171.163
where: short stacking energy: -73.605
Base-Backbone interact. energy: 3.627
local terms energy: -84.669754
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -21.308
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -215.950752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.950752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.950752 (E_RNA)
where:
Base-Base interactions energy: -128.343
where: short stacking energy: -73.900
Base-Backbone interact. energy: -0.348
local terms energy: -87.260114
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -24.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -230.902953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.902953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.902953 (E_RNA)
where:
Base-Base interactions energy: -162.862
where: short stacking energy: -69.683
Base-Backbone interact. energy: -0.081
local terms energy: -67.960329
where:
bonds (distance) C4'-P energy: -7.423
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -345.209844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.209844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.209844 (E_RNA)
where:
Base-Base interactions energy: -241.090
where: short stacking energy: -113.414
Base-Backbone interact. energy: -0.339
local terms energy: -103.781172
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -22.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -359.918734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.918734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.918734 (E_RNA)
where:
Base-Base interactions energy: -245.310
where: short stacking energy: -108.621
Base-Backbone interact. energy: -0.005
local terms energy: -114.604092
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -24.679
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -29.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -296.177187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.177187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.177187 (E_RNA)
where:
Base-Base interactions energy: -183.214
where: short stacking energy: -95.839
Base-Backbone interact. energy: -0.211
local terms energy: -112.752457
where:
bonds (distance) C4'-P energy: -25.464
bonds (distance) P-C4' energy: -23.650
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -18.323
tors. eta vs tors. theta energy: -22.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -284.758361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.758361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.758361 (E_RNA)
where:
Base-Base interactions energy: -176.521
where: short stacking energy: -85.865
Base-Backbone interact. energy: -0.116
local terms energy: -108.120975
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -26.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -291.057282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.057282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.057282 (E_RNA)
where:
Base-Base interactions energy: -191.270
where: short stacking energy: -88.916
Base-Backbone interact. energy: 0.577
local terms energy: -100.364572
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -23.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -268.356799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.356799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.356799 (E_RNA)
where:
Base-Base interactions energy: -173.268
where: short stacking energy: -86.057
Base-Backbone interact. energy: 0.437
local terms energy: -95.525723
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -271.833301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.833301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.833301 (E_RNA)
where:
Base-Base interactions energy: -174.213
where: short stacking energy: -81.931
Base-Backbone interact. energy: -0.249
local terms energy: -97.371704
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -191.055623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.055623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.055623 (E_RNA)
where:
Base-Base interactions energy: -111.519
where: short stacking energy: -51.067
Base-Backbone interact. energy: -0.976
local terms energy: -78.561206
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -8.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -214.145777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.145777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.145777 (E_RNA)
where:
Base-Base interactions energy: -125.342
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.143
local terms energy: -88.660802
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -185.336521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.336521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.336521 (E_RNA)
where:
Base-Base interactions energy: -107.524
where: short stacking energy: -48.452
Base-Backbone interact. energy: -0.257
local terms energy: -77.555256
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -340.389709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.389709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.389709 (E_RNA)
where:
Base-Base interactions energy: -236.381
where: short stacking energy: -110.769
Base-Backbone interact. energy: 0.552
local terms energy: -104.560470
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -367.741895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.741895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.741895 (E_RNA)
where:
Base-Base interactions energy: -253.415
where: short stacking energy: -108.507
Base-Backbone interact. energy: -0.659
local terms energy: -113.667741
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -30.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -300.366236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.366236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.366236 (E_RNA)
where:
Base-Base interactions energy: -190.821
where: short stacking energy: -96.417
Base-Backbone interact. energy: -0.184
local terms energy: -109.362059
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -27.236
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -25.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -309.496831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.496831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.496831 (E_RNA)
where:
Base-Base interactions energy: -214.838
where: short stacking energy: -105.480
Base-Backbone interact. energy: -0.016
local terms energy: -94.642278
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -283.092393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.092393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.092393 (E_RNA)
where:
Base-Base interactions energy: -178.459
where: short stacking energy: -84.209
Base-Backbone interact. energy: -0.191
local terms energy: -104.442569
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -265.371476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.371476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.371476 (E_RNA)
where:
Base-Base interactions energy: -167.563
where: short stacking energy: -73.942
Base-Backbone interact. energy: -0.168
local terms energy: -97.640775
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -252.688436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.688436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.688436 (E_RNA)
where:
Base-Base interactions energy: -161.168
where: short stacking energy: -79.593
Base-Backbone interact. energy: -1.581
local terms energy: -89.939053
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -24.031
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -213.017178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.017178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.017178 (E_RNA)
where:
Base-Base interactions energy: -128.480
where: short stacking energy: -59.668
Base-Backbone interact. energy: 0.357
local terms energy: -84.893777
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -210.892800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.892800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.892800 (E_RNA)
where:
Base-Base interactions energy: -137.746
where: short stacking energy: -67.576
Base-Backbone interact. energy: 0.928
local terms energy: -74.075405
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -193.040236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.040236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.040236 (E_RNA)
where:
Base-Base interactions energy: -118.879
where: short stacking energy: -59.875
Base-Backbone interact. energy: -0.563
local terms energy: -73.598143
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -372.226964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.226964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.226964 (E_RNA)
where:
Base-Base interactions energy: -253.400
where: short stacking energy: -102.705
Base-Backbone interact. energy: -0.195
local terms energy: -118.632387
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -23.388
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -30.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -335.779150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.779150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.779150 (E_RNA)
where:
Base-Base interactions energy: -217.097
where: short stacking energy: -101.501
Base-Backbone interact. energy: -0.328
local terms energy: -118.353345
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -24.599
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -31.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -307.986642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.986642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.986642 (E_RNA)
where:
Base-Base interactions energy: -200.410
where: short stacking energy: -81.687
Base-Backbone interact. energy: -0.091
local terms energy: -107.485295
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -26.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -287.496927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.496927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.496927 (E_RNA)
where:
Base-Base interactions energy: -191.185
where: short stacking energy: -78.849
Base-Backbone interact. energy: -0.668
local terms energy: -95.644485
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -15.879
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -267.824866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.824866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.824866 (E_RNA)
where:
Base-Base interactions energy: -164.918
where: short stacking energy: -78.467
Base-Backbone interact. energy: -0.570
local terms energy: -102.336471
where:
bonds (distance) C4'-P energy: -26.448
bonds (distance) P-C4' energy: -27.277
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -269.187992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.187992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.187992 (E_RNA)
where:
Base-Base interactions energy: -180.048
where: short stacking energy: -75.227
Base-Backbone interact. energy: -0.201
local terms energy: -88.938949
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -23.817
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -248.850882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.850882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.850882 (E_RNA)
where:
Base-Base interactions energy: -157.075
where: short stacking energy: -63.418
Base-Backbone interact. energy: -0.668
local terms energy: -91.107893
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -207.113131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.113131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.113131 (E_RNA)
where:
Base-Base interactions energy: -122.258
where: short stacking energy: -66.438
Base-Backbone interact. energy: -0.494
local terms energy: -84.361490
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -222.469417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.469417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.469417 (E_RNA)
where:
Base-Base interactions energy: -140.505
where: short stacking energy: -66.907
Base-Backbone interact. energy: -0.209
local terms energy: -81.755489
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -20.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -188.095631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.095631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.095631 (E_RNA)
where:
Base-Base interactions energy: -109.205
where: short stacking energy: -53.335
Base-Backbone interact. energy: -0.146
local terms energy: -78.744582
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -374.409919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.409919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.409919 (E_RNA)
where:
Base-Base interactions energy: -248.855
where: short stacking energy: -106.694
Base-Backbone interact. energy: -0.073
local terms energy: -125.481504
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -20.370
tors. eta vs tors. theta energy: -32.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -316.170105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.170105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.170105 (E_RNA)
where:
Base-Base interactions energy: -223.130
where: short stacking energy: -95.120
Base-Backbone interact. energy: -0.239
local terms energy: -92.801077
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -24.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -324.982980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.982980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.982980 (E_RNA)
where:
Base-Base interactions energy: -213.237
where: short stacking energy: -90.587
Base-Backbone interact. energy: 0.471
local terms energy: -112.217288
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -26.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -280.341198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.341198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.341198 (E_RNA)
where:
Base-Base interactions energy: -179.923
where: short stacking energy: -88.200
Base-Backbone interact. energy: -0.136
local terms energy: -100.282391
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -23.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -267.366168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.366168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.366168 (E_RNA)
where:
Base-Base interactions energy: -174.250
where: short stacking energy: -78.405
Base-Backbone interact. energy: -0.110
local terms energy: -93.006614
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -21.857
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -259.491902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.491902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.491902 (E_RNA)
where:
Base-Base interactions energy: -163.388
where: short stacking energy: -87.634
Base-Backbone interact. energy: 0.352
local terms energy: -96.455923
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -24.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -264.357528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.357528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.357528 (E_RNA)
where:
Base-Base interactions energy: -181.719
where: short stacking energy: -71.219
Base-Backbone interact. energy: 1.675
local terms energy: -84.313185
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -216.013137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.013137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.013137 (E_RNA)
where:
Base-Base interactions energy: -126.981
where: short stacking energy: -71.978
Base-Backbone interact. energy: -0.051
local terms energy: -88.981590
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -25.727
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -13.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -196.846763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.846763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.846763 (E_RNA)
where:
Base-Base interactions energy: -108.292
where: short stacking energy: -51.969
Base-Backbone interact. energy: -0.628
local terms energy: -87.927261
where:
bonds (distance) C4'-P energy: -23.989
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -179.600201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.600201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.600201 (E_RNA)
where:
Base-Base interactions energy: -106.720
where: short stacking energy: -57.841
Base-Backbone interact. energy: -0.929
local terms energy: -71.951369
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -365.723373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.723373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.723373 (E_RNA)
where:
Base-Base interactions energy: -249.224
where: short stacking energy: -106.827
Base-Backbone interact. energy: -0.004
local terms energy: -116.495533
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -24.334
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -33.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -310.353347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.353347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.353347 (E_RNA)
where:
Base-Base interactions energy: -208.301
where: short stacking energy: -89.420
Base-Backbone interact. energy: -0.239
local terms energy: -101.813355
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -25.948
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -22.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -314.942821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.942821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.942821 (E_RNA)
where:
Base-Base interactions energy: -211.345
where: short stacking energy: -92.795
Base-Backbone interact. energy: 0.065
local terms energy: -103.663542
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -25.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -302.595685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.595685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.595685 (E_RNA)
where:
Base-Base interactions energy: -197.325
where: short stacking energy: -86.998
Base-Backbone interact. energy: -0.410
local terms energy: -104.860570
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -23.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -266.336508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.336508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.336508 (E_RNA)
where:
Base-Base interactions energy: -166.723
where: short stacking energy: -85.959
Base-Backbone interact. energy: -0.624
local terms energy: -98.989079
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -26.262
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -26.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -255.219061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.219061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.219061 (E_RNA)
where:
Base-Base interactions energy: -166.775
where: short stacking energy: -83.984
Base-Backbone interact. energy: 0.496
local terms energy: -88.940547
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -261.828930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.828930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.828930 (E_RNA)
where:
Base-Base interactions energy: -177.908
where: short stacking energy: -90.470
Base-Backbone interact. energy: -0.672
local terms energy: -83.248355
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -207.843048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.843048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.843048 (E_RNA)
where:
Base-Base interactions energy: -116.556
where: short stacking energy: -58.407
Base-Backbone interact. energy: -0.253
local terms energy: -91.034280
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -211.337604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.337604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.337604 (E_RNA)
where:
Base-Base interactions energy: -125.757
where: short stacking energy: -58.602
Base-Backbone interact. energy: -1.322
local terms energy: -84.258508
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -24.679
flat angles P-C4'-P energy: -12.172
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: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -112.735488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.735488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.735488 (E_RNA)
where:
Base-Base interactions energy: -43.887
where: short stacking energy: -36.339
Base-Backbone interact. energy: -0.691
local terms energy: -68.157444
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -370.580441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.580441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.580441 (E_RNA)
where:
Base-Base interactions energy: -250.834
where: short stacking energy: -111.636
Base-Backbone interact. energy: -0.072
local terms energy: -119.674442
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -33.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -334.292694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.292694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.292694 (E_RNA)
where:
Base-Base interactions energy: -228.089
where: short stacking energy: -95.437
Base-Backbone interact. energy: -0.888
local terms energy: -105.315935
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -26.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -316.333270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.333270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.333270 (E_RNA)
where:
Base-Base interactions energy: -206.150
where: short stacking energy: -97.945
Base-Backbone interact. energy: -0.065
local terms energy: -110.119013
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -29.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -258.036027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.036027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.036027 (E_RNA)
where:
Base-Base interactions energy: -160.788
where: short stacking energy: -84.945
Base-Backbone interact. energy: -0.379
local terms energy: -96.868395
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -278.401042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.401042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.401042 (E_RNA)
where:
Base-Base interactions energy: -186.269
where: short stacking energy: -71.557
Base-Backbone interact. energy: -0.250
local terms energy: -91.882139
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -268.448442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.448442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.448442 (E_RNA)
where:
Base-Base interactions energy: -171.897
where: short stacking energy: -76.212
Base-Backbone interact. energy: -0.405
local terms energy: -96.146785
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -23.640
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -265.924506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.924506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.924506 (E_RNA)
where:
Base-Base interactions energy: -162.974
where: short stacking energy: -78.257
Base-Backbone interact. energy: 3.223
local terms energy: -106.172906
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -22.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -218.744002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.744002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.744002 (E_RNA)
where:
Base-Base interactions energy: -133.299
where: short stacking energy: -71.223
Base-Backbone interact. energy: -0.691
local terms energy: -84.754213
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -14.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -229.646834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.646834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.646834 (E_RNA)
where:
Base-Base interactions energy: -145.459
where: short stacking energy: -61.137
Base-Backbone interact. energy: -0.073
local terms energy: -84.114661
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -112.723733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.723733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.723733 (E_RNA)
where:
Base-Base interactions energy: -48.826
where: short stacking energy: -48.826
Base-Backbone interact. energy: -0.526
local terms energy: -63.372172
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -12.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -351.152652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.152652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.152652 (E_RNA)
where:
Base-Base interactions energy: -242.414
where: short stacking energy: -92.818
Base-Backbone interact. energy: -1.603
local terms energy: -107.135264
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -28.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -358.712083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.712083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.712083 (E_RNA)
where:
Base-Base interactions energy: -243.955
where: short stacking energy: -107.618
Base-Backbone interact. energy: 0.599
local terms energy: -115.356134
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -32.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -320.118750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.118750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.118750 (E_RNA)
where:
Base-Base interactions energy: -204.294
where: short stacking energy: -114.790
Base-Backbone interact. energy: -0.107
local terms energy: -115.717212
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -28.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -285.528599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.528599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.528599 (E_RNA)
where:
Base-Base interactions energy: -180.648
where: short stacking energy: -92.366
Base-Backbone interact. energy: -0.701
local terms energy: -104.179242
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -273.680255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.680255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.680255 (E_RNA)
where:
Base-Base interactions energy: -180.427
where: short stacking energy: -88.926
Base-Backbone interact. energy: -0.025
local terms energy: -93.228571
where:
bonds (distance) C4'-P energy: -20.820
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -271.784464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.784464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.784464 (E_RNA)
where:
Base-Base interactions energy: -184.093
where: short stacking energy: -73.220
Base-Backbone interact. energy: 0.900
local terms energy: -88.591716
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -11.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -258.513081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.513081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.513081 (E_RNA)
where:
Base-Base interactions energy: -163.172
where: short stacking energy: -72.770
Base-Backbone interact. energy: -0.124
local terms energy: -95.216927
where:
bonds (distance) C4'-P energy: -23.539
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -225.659685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.659685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.659685 (E_RNA)
where:
Base-Base interactions energy: -128.361
where: short stacking energy: -66.592
Base-Backbone interact. energy: -0.343
local terms energy: -96.956221
where:
bonds (distance) C4'-P energy: -24.875
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -224.356445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.356445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.356445 (E_RNA)
where:
Base-Base interactions energy: -153.429
where: short stacking energy: -44.735
Base-Backbone interact. energy: 0.703
local terms energy: -71.630326
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -3.818
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: 10, replica: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -102.735652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.735652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.735652 (E_RNA)
where:
Base-Base interactions energy: -38.295
where: short stacking energy: -37.721
Base-Backbone interact. energy: -0.372
local terms energy: -64.069075
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -348.526094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.526094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.526094 (E_RNA)
where:
Base-Base interactions energy: -232.500
where: short stacking energy: -92.506
Base-Backbone interact. energy: 0.188
local terms energy: -116.214411
where:
bonds (distance) C4'-P energy: -26.813
bonds (distance) P-C4' energy: -26.269
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -26.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -369.400792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.400792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.400792 (E_RNA)
where:
Base-Base interactions energy: -256.975
where: short stacking energy: -115.386
Base-Backbone interact. energy: -1.077
local terms energy: -111.348849
where:
bonds (distance) C4'-P energy: -24.177
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -34.128
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: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -310.097571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.097571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.097571 (E_RNA)
where:
Base-Base interactions energy: -196.592
where: short stacking energy: -102.869
Base-Backbone interact. energy: -0.146
local terms energy: -113.359372
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -32.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -290.497806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.497806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.497806 (E_RNA)
where:
Base-Base interactions energy: -186.378
where: short stacking energy: -91.780
Base-Backbone interact. energy: -0.302
local terms energy: -103.817957
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -22.603
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: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -275.434809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.434809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.434809 (E_RNA)
where:
Base-Base interactions energy: -180.001
where: short stacking energy: -76.633
Base-Backbone interact. energy: -0.182
local terms energy: -95.251310
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -24.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -265.773405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.773405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.773405 (E_RNA)
where:
Base-Base interactions energy: -175.041
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.829
local terms energy: -89.903337
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -256.266443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.266443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.266443 (E_RNA)
where:
Base-Base interactions energy: -168.378
where: short stacking energy: -89.129
Base-Backbone interact. energy: -0.168
local terms energy: -87.720424
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -23.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -241.681341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.681341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.681341 (E_RNA)
where:
Base-Base interactions energy: -152.165
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.550
local terms energy: -88.966765
where:
bonds (distance) C4'-P energy: -23.063
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -194.554709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.554709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.554709 (E_RNA)
where:
Base-Base interactions energy: -115.710
where: short stacking energy: -56.346
Base-Backbone interact. energy: 0.147
local terms energy: -78.992008
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -106.924316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.924316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.924316 (E_RNA)
where:
Base-Base interactions energy: -33.734
where: short stacking energy: -27.215
Base-Backbone interact. energy: -0.388
local terms energy: -72.802587
where:
bonds (distance) C4'-P energy: -8.711
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -23.831
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -366.274457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.274457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.274457 (E_RNA)
where:
Base-Base interactions energy: -243.150
where: short stacking energy: -102.636
Base-Backbone interact. energy: -0.113
local terms energy: -123.011134
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -27.667
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -34.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -341.616680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.616680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.616680 (E_RNA)
where:
Base-Base interactions energy: -237.260
where: short stacking energy: -100.534
Base-Backbone interact. energy: -0.105
local terms energy: -104.252436
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -25.353
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: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -301.900688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.900688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.900688 (E_RNA)
where:
Base-Base interactions energy: -194.512
where: short stacking energy: -95.374
Base-Backbone interact. energy: -0.644
local terms energy: -106.744720
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -25.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -277.787920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.787920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.787920 (E_RNA)
where:
Base-Base interactions energy: -184.141
where: short stacking energy: -84.362
Base-Backbone interact. energy: -0.241
local terms energy: -93.405739
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -12.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -277.197391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.197391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.197391 (E_RNA)
where:
Base-Base interactions energy: -183.922
where: short stacking energy: -85.470
Base-Backbone interact. energy: -0.223
local terms energy: -93.052407
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -266.472646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.472646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.472646 (E_RNA)
where:
Base-Base interactions energy: -168.826
where: short stacking energy: -70.813
Base-Backbone interact. energy: 0.623
local terms energy: -98.269680
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -22.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -250.528354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.528354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.528354 (E_RNA)
where:
Base-Base interactions energy: -158.040
where: short stacking energy: -78.814
Base-Backbone interact. energy: -0.079
local terms energy: -92.409136
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -232.408254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.408254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.408254 (E_RNA)
where:
Base-Base interactions energy: -148.360
where: short stacking energy: -58.040
Base-Backbone interact. energy: -1.034
local terms energy: -83.013782
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -8.379
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: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -192.731503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.731503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.731503 (E_RNA)
where:
Base-Base interactions energy: -109.782
where: short stacking energy: -58.969
Base-Backbone interact. energy: -0.432
local terms energy: -82.518449
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -108.233245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.233245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.233245 (E_RNA)
where:
Base-Base interactions energy: -39.052
where: short stacking energy: -32.317
Base-Backbone interact. energy: -0.571
local terms energy: -68.609587
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -367.529534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.529534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.529534 (E_RNA)
where:
Base-Base interactions energy: -251.630
where: short stacking energy: -109.928
Base-Backbone interact. energy: -0.134
local terms energy: -115.766094
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -33.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -328.839275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.839275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.839275 (E_RNA)
where:
Base-Base interactions energy: -223.010
where: short stacking energy: -98.632
Base-Backbone interact. energy: 2.731
local terms energy: -108.560006
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -30.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -304.976582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.976582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.976582 (E_RNA)
where:
Base-Base interactions energy: -196.266
where: short stacking energy: -90.191
Base-Backbone interact. energy: -0.255
local terms energy: -108.455966
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -293.722312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.722312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.722312 (E_RNA)
where:
Base-Base interactions energy: -193.521
where: short stacking energy: -93.667
Base-Backbone interact. energy: -0.130
local terms energy: -100.071308
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -24.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -270.318551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.318551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.318551 (E_RNA)
where:
Base-Base interactions energy: -165.730
where: short stacking energy: -72.882
Base-Backbone interact. energy: -0.072
local terms energy: -104.517020
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -26.627
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -22.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -265.112240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.112240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.112240 (E_RNA)
where:
Base-Base interactions energy: -176.780
where: short stacking energy: -79.417
Base-Backbone interact. energy: -0.080
local terms energy: -88.251912
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -22.834
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: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -258.533146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.533146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.533146 (E_RNA)
where:
Base-Base interactions energy: -159.342
where: short stacking energy: -82.516
Base-Backbone interact. energy: -0.045
local terms energy: -99.145576
where:
bonds (distance) C4'-P energy: -24.339
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -21.363
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -17.185
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: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -221.472318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.472318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.472318 (E_RNA)
where:
Base-Base interactions energy: -141.728
where: short stacking energy: -55.361
Base-Backbone interact. energy: -0.273
local terms energy: -79.471215
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -220.296162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.296162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.296162 (E_RNA)
where:
Base-Base interactions energy: -131.824
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.421
local terms energy: -88.050883
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -23.463
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -110.100109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.100109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.100109 (E_RNA)
where:
Base-Base interactions energy: -39.634
where: short stacking energy: -41.319
Base-Backbone interact. energy: 0.151
local terms energy: -70.616889
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -374.538605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.538605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.538605 (E_RNA)
where:
Base-Base interactions energy: -259.379
where: short stacking energy: -104.035
Base-Backbone interact. energy: -0.030
local terms energy: -115.129803
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -32.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -331.851340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.851340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.851340 (E_RNA)
where:
Base-Base interactions energy: -222.740
where: short stacking energy: -92.455
Base-Backbone interact. energy: -0.600
local terms energy: -108.511464
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -17.938
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -294.552473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.552473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.552473 (E_RNA)
where:
Base-Base interactions energy: -198.057
where: short stacking energy: -89.040
Base-Backbone interact. energy: -1.438
local terms energy: -95.057313
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -24.563
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -294.243946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.243946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.243946 (E_RNA)
where:
Base-Base interactions energy: -189.996
where: short stacking energy: -84.806
Base-Backbone interact. energy: -0.267
local terms energy: -103.980967
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -20.808
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -28.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -268.948185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.948185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.948185 (E_RNA)
where:
Base-Base interactions energy: -189.707
where: short stacking energy: -90.001
Base-Backbone interact. energy: -0.144
local terms energy: -79.097301
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -17.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -261.128632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.128632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.128632 (E_RNA)
where:
Base-Base interactions energy: -165.525
where: short stacking energy: -84.053
Base-Backbone interact. energy: -0.217
local terms energy: -95.386652
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -258.137316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.137316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.137316 (E_RNA)
where:
Base-Base interactions energy: -166.941
where: short stacking energy: -78.293
Base-Backbone interact. energy: 0.202
local terms energy: -91.398264
where:
bonds (distance) C4'-P energy: -26.305
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -225.583514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.583514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.583514 (E_RNA)
where:
Base-Base interactions energy: -145.474
where: short stacking energy: -64.971
Base-Backbone interact. energy: 0.868
local terms energy: -80.977931
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -196.750834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.750834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.750834 (E_RNA)
where:
Base-Base interactions energy: -111.694
where: short stacking energy: -52.840
Base-Backbone interact. energy: -0.163
local terms energy: -84.894533
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -111.301150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.301150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.301150 (E_RNA)
where:
Base-Base interactions energy: -49.892
where: short stacking energy: -30.950
Base-Backbone interact. energy: -0.113
local terms energy: -61.295638
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -5.733
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: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -374.279653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.279653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.279653 (E_RNA)
where:
Base-Base interactions energy: -256.244
where: short stacking energy: -112.154
Base-Backbone interact. energy: -0.256
local terms energy: -117.779351
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -18.552
tors. eta vs tors. theta energy: -31.771
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: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -326.464615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.464615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.464615 (E_RNA)
where:
Base-Base interactions energy: -221.949
where: short stacking energy: -98.207
Base-Backbone interact. energy: -0.147
local terms energy: -104.368670
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -23.158
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -21.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -321.406419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.406419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.406419 (E_RNA)
where:
Base-Base interactions energy: -213.375
where: short stacking energy: -90.820
Base-Backbone interact. energy: -0.162
local terms energy: -107.869302
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -26.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -280.284039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.284039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.284039 (E_RNA)
where:
Base-Base interactions energy: -184.243
where: short stacking energy: -87.528
Base-Backbone interact. energy: -0.288
local terms energy: -95.753424
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -273.344995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.344995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.344995 (E_RNA)
where:
Base-Base interactions energy: -170.459
where: short stacking energy: -76.465
Base-Backbone interact. energy: -0.110
local terms energy: -102.776341
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -25.342
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -22.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -277.652819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.652819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.652819 (E_RNA)
where:
Base-Base interactions energy: -188.927
where: short stacking energy: -83.468
Base-Backbone interact. energy: -0.441
local terms energy: -88.284518
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -243.572242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.572242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.572242 (E_RNA)
where:
Base-Base interactions energy: -154.970
where: short stacking energy: -62.493
Base-Backbone interact. energy: -0.445
local terms energy: -88.157370
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -13.555
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: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -250.637729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.637729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.637729 (E_RNA)
where:
Base-Base interactions energy: -167.148
where: short stacking energy: -84.149
Base-Backbone interact. energy: 2.076
local terms energy: -85.565719
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -231.426546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.426546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.426546 (E_RNA)
where:
Base-Base interactions energy: -153.779
where: short stacking energy: -64.775
Base-Backbone interact. energy: -0.214
local terms energy: -77.433562
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -26.331
flat angles C4'-P-C4' energy: -3.070
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -109.961516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.961516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.961516 (E_RNA)
where:
Base-Base interactions energy: -51.706
where: short stacking energy: -34.011
Base-Backbone interact. energy: 0.502
local terms energy: -58.757291
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: 4.092
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: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -372.969936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.969936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.969936 (E_RNA)
where:
Base-Base interactions energy: -251.775
where: short stacking energy: -110.609
Base-Backbone interact. energy: -0.108
local terms energy: -121.086819
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -25.020
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -28.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -332.442200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.442200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.442200 (E_RNA)
where:
Base-Base interactions energy: -222.531
where: short stacking energy: -98.973
Base-Backbone interact. energy: -1.308
local terms energy: -108.602281
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -32.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -318.499529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.499529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.499529 (E_RNA)
where:
Base-Base interactions energy: -208.070
where: short stacking energy: -100.580
Base-Backbone interact. energy: -0.463
local terms energy: -109.966505
where:
bonds (distance) C4'-P energy: -21.481
bonds (distance) P-C4' energy: -21.093
flat angles C4'-P-C4' energy: -25.633
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -26.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -287.001686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.001686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.001686 (E_RNA)
where:
Base-Base interactions energy: -188.716
where: short stacking energy: -95.521
Base-Backbone interact. energy: -0.057
local terms energy: -98.228276
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -21.152
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -270.393264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.393264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.393264 (E_RNA)
where:
Base-Base interactions energy: -174.231
where: short stacking energy: -86.944
Base-Backbone interact. energy: -0.431
local terms energy: -95.731227
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -260.676008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.676008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.676008 (E_RNA)
where:
Base-Base interactions energy: -178.988
where: short stacking energy: -72.104
Base-Backbone interact. energy: -0.935
local terms energy: -80.753268
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -17.372
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: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -260.809093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.809093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.809093 (E_RNA)
where:
Base-Base interactions energy: -167.102
where: short stacking energy: -73.124
Base-Backbone interact. energy: -0.225
local terms energy: -93.482105
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -244.656687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.656687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.656687 (E_RNA)
where:
Base-Base interactions energy: -154.906
where: short stacking energy: -71.440
Base-Backbone interact. energy: -1.136
local terms energy: -88.614853
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -250.192881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.192881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.192881 (E_RNA)
where:
Base-Base interactions energy: -158.425
where: short stacking energy: -72.439
Base-Backbone interact. energy: -0.196
local terms energy: -91.571572
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -17.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -106.423259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.423259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.423259 (E_RNA)
where:
Base-Base interactions energy: -32.066
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.221
local terms energy: -74.135799
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -373.064168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.064168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.064168 (E_RNA)
where:
Base-Base interactions energy: -252.373
where: short stacking energy: -107.731
Base-Backbone interact. energy: -0.071
local terms energy: -120.619917
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -31.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -336.470656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.470656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.470656 (E_RNA)
where:
Base-Base interactions energy: -229.063
where: short stacking energy: -102.751
Base-Backbone interact. energy: -0.256
local terms energy: -107.151459
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -24.161
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -26.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -304.734567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.734567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.734567 (E_RNA)
where:
Base-Base interactions energy: -202.121
where: short stacking energy: -82.541
Base-Backbone interact. energy: -0.636
local terms energy: -101.977265
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -21.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -283.386519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.386519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.386519 (E_RNA)
where:
Base-Base interactions energy: -172.818
where: short stacking energy: -87.784
Base-Backbone interact. energy: -0.035
local terms energy: -110.533407
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -21.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -266.156076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.156076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.156076 (E_RNA)
where:
Base-Base interactions energy: -174.006
where: short stacking energy: -84.446
Base-Backbone interact. energy: -0.081
local terms energy: -92.069399
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -22.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -256.715138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.715138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.715138 (E_RNA)
where:
Base-Base interactions energy: -160.384
where: short stacking energy: -74.491
Base-Backbone interact. energy: -1.268
local terms energy: -95.062753
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -252.753396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.753396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.753396 (E_RNA)
where:
Base-Base interactions energy: -179.402
where: short stacking energy: -77.903
Base-Backbone interact. energy: -0.921
local terms energy: -72.430570
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -261.529845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.529845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.529845 (E_RNA)
where:
Base-Base interactions energy: -177.997
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.675
local terms energy: -82.857880
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -242.452690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.452690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.452690 (E_RNA)
where:
Base-Base interactions energy: -144.935
where: short stacking energy: -69.301
Base-Backbone interact. energy: -0.050
local terms energy: -97.468010
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -105.805848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.805848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.805848 (E_RNA)
where:
Base-Base interactions energy: -36.371
where: short stacking energy: -20.913
Base-Backbone interact. energy: -0.879
local terms energy: -68.555973
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: 2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -373.069573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.069573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.069573 (E_RNA)
where:
Base-Base interactions energy: -251.621
where: short stacking energy: -114.628
Base-Backbone interact. energy: -0.026
local terms energy: -121.423058
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -24.212
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -34.474
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: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -340.063080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.063080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.063080 (E_RNA)
where:
Base-Base interactions energy: -230.379
where: short stacking energy: -106.427
Base-Backbone interact. energy: -0.287
local terms energy: -109.396997
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -31.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -300.189566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.189566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.189566 (E_RNA)
where:
Base-Base interactions energy: -205.308
where: short stacking energy: -87.010
Base-Backbone interact. energy: -0.446
local terms energy: -94.435306
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -282.401842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.401842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.401842 (E_RNA)
where:
Base-Base interactions energy: -174.641
where: short stacking energy: -93.421
Base-Backbone interact. energy: -0.093
local terms energy: -107.668214
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -26.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -275.131597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.131597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.131597 (E_RNA)
where:
Base-Base interactions energy: -173.017
where: short stacking energy: -85.407
Base-Backbone interact. energy: -0.005
local terms energy: -102.109551
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -22.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -288.498010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.498010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.498010 (E_RNA)
where:
Base-Base interactions energy: -190.596
where: short stacking energy: -99.427
Base-Backbone interact. energy: -0.141
local terms energy: -97.760827
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -25.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -250.704583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.704583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.704583 (E_RNA)
where:
Base-Base interactions energy: -157.513
where: short stacking energy: -74.113
Base-Backbone interact. energy: -0.918
local terms energy: -92.273689
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -22.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -264.831964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.831964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.831964 (E_RNA)
where:
Base-Base interactions energy: -181.788
where: short stacking energy: -70.551
Base-Backbone interact. energy: -0.446
local terms energy: -82.597159
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -239.495275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.495275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.495275 (E_RNA)
where:
Base-Base interactions energy: -141.481
where: short stacking energy: -58.741
Base-Backbone interact. energy: -0.109
local terms energy: -97.905606
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -22.235
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -16.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -120.343378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.343378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.343378 (E_RNA)
where:
Base-Base interactions energy: -49.712
where: short stacking energy: -33.695
Base-Backbone interact. energy: 0.133
local terms energy: -70.765161
where:
bonds (distance) C4'-P energy: -23.718
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -21.431
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -370.141457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.141457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.141457 (E_RNA)
where:
Base-Base interactions energy: -256.313
where: short stacking energy: -110.402
Base-Backbone interact. energy: -0.182
local terms energy: -113.646182
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -31.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -315.869480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.869480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.869480 (E_RNA)
where:
Base-Base interactions energy: -209.521
where: short stacking energy: -84.915
Base-Backbone interact. energy: -0.592
local terms energy: -105.756498
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -25.992
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -324.779329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.779329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.779329 (E_RNA)
where:
Base-Base interactions energy: -219.414
where: short stacking energy: -93.740
Base-Backbone interact. energy: 0.158
local terms energy: -105.523331
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -25.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -287.727626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.727626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.727626 (E_RNA)
where:
Base-Base interactions energy: -191.038
where: short stacking energy: -90.851
Base-Backbone interact. energy: -2.312
local terms energy: -94.377859
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -264.374187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.374187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.374187 (E_RNA)
where:
Base-Base interactions energy: -170.581
where: short stacking energy: -85.130
Base-Backbone interact. energy: -0.634
local terms energy: -93.159229
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -20.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -264.464532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.464532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.464532 (E_RNA)
where:
Base-Base interactions energy: -172.853
where: short stacking energy: -81.757
Base-Backbone interact. energy: 0.527
local terms energy: -92.139222
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -244.589585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.589585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.589585 (E_RNA)
where:
Base-Base interactions energy: -156.609
where: short stacking energy: -68.932
Base-Backbone interact. energy: 0.149
local terms energy: -88.129262
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -199.490598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.490598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.490598 (E_RNA)
where:
Base-Base interactions energy: -122.319
where: short stacking energy: -60.521
Base-Backbone interact. energy: -0.468
local terms energy: -76.703363
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -10.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -203.372492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.372492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.372492 (E_RNA)
where:
Base-Base interactions energy: -121.043
where: short stacking energy: -60.964
Base-Backbone interact. energy: -0.953
local terms energy: -81.376615
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -11.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -118.400043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.400043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.400043 (E_RNA)
where:
Base-Base interactions energy: -44.165
where: short stacking energy: -32.380
Base-Backbone interact. energy: -0.245
local terms energy: -73.989639
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: 0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -373.311033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.311033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.311033 (E_RNA)
where:
Base-Base interactions energy: -259.879
where: short stacking energy: -107.086
Base-Backbone interact. energy: -0.108
local terms energy: -113.324156
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -33.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -314.709983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.709983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.709983 (E_RNA)
where:
Base-Base interactions energy: -201.340
where: short stacking energy: -84.792
Base-Backbone interact. energy: -0.637
local terms energy: -112.733509
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -26.973
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -291.354779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.354779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.354779 (E_RNA)
where:
Base-Base interactions energy: -189.278
where: short stacking energy: -95.863
Base-Backbone interact. energy: -0.154
local terms energy: -101.923525
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -24.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -316.540250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.540250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.540250 (E_RNA)
where:
Base-Base interactions energy: -219.368
where: short stacking energy: -90.395
Base-Backbone interact. energy: -0.780
local terms energy: -96.392531
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -26.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -273.277621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.277621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.277621 (E_RNA)
where:
Base-Base interactions energy: -187.967
where: short stacking energy: -90.740
Base-Backbone interact. energy: 0.083
local terms energy: -85.394343
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -21.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -260.668247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.668247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.668247 (E_RNA)
where:
Base-Base interactions energy: -164.726
where: short stacking energy: -78.418
Base-Backbone interact. energy: -0.355
local terms energy: -95.588037
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -218.956231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.956231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.956231 (E_RNA)
where:
Base-Base interactions energy: -136.699
where: short stacking energy: -67.263
Base-Backbone interact. energy: -0.168
local terms energy: -82.089237
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -213.055319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.055319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.055319 (E_RNA)
where:
Base-Base interactions energy: -146.319
where: short stacking energy: -56.169
Base-Backbone interact. energy: -0.174
local terms energy: -66.563253
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -209.716186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.716186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.716186 (E_RNA)
where:
Base-Base interactions energy: -145.709
where: short stacking energy: -63.185
Base-Backbone interact. energy: -0.187
local terms energy: -63.820705
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -117.620381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.620381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.620381 (E_RNA)
where:
Base-Base interactions energy: -37.755
where: short stacking energy: -34.210
Base-Backbone interact. energy: 0.840
local terms energy: -80.705824
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -371.513430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.513430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.513430 (E_RNA)
where:
Base-Base interactions energy: -257.206
where: short stacking energy: -106.231
Base-Backbone interact. energy: -0.650
local terms energy: -113.657918
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -25.050
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -32.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -311.707189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.707189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.707189 (E_RNA)
where:
Base-Base interactions energy: -200.868
where: short stacking energy: -86.676
Base-Backbone interact. energy: -0.023
local terms energy: -110.816003
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -23.812
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -24.747
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: 3, replica: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -298.175579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.175579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.175579 (E_RNA)
where:
Base-Base interactions energy: -187.528
where: short stacking energy: -100.317
Base-Backbone interact. energy: -0.148
local terms energy: -110.499100
where:
bonds (distance) C4'-P energy: -25.800
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -26.025
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: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -340.318515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.318515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.318515 (E_RNA)
where:
Base-Base interactions energy: -239.087
where: short stacking energy: -95.836
Base-Backbone interact. energy: 0.561
local terms energy: -101.792424
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -26.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -282.171276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.171276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.171276 (E_RNA)
where:
Base-Base interactions energy: -190.694
where: short stacking energy: -82.855
Base-Backbone interact. energy: -0.042
local terms energy: -91.434702
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -277.911290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.911290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.911290 (E_RNA)
where:
Base-Base interactions energy: -181.543
where: short stacking energy: -74.378
Base-Backbone interact. energy: 0.051
local terms energy: -96.418951
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -16.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -230.569208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.569208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.569208 (E_RNA)
where:
Base-Base interactions energy: -137.375
where: short stacking energy: -63.167
Base-Backbone interact. energy: -0.480
local terms energy: -92.714275
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -217.484384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.484384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.484384 (E_RNA)
where:
Base-Base interactions energy: -136.933
where: short stacking energy: -55.087
Base-Backbone interact. energy: -0.395
local terms energy: -80.156578
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -236.942652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.942652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.942652 (E_RNA)
where:
Base-Base interactions energy: -143.850
where: short stacking energy: -59.751
Base-Backbone interact. energy: -0.372
local terms energy: -92.720001
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -9.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -105.913407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.913407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.913407 (E_RNA)
where:
Base-Base interactions energy: -42.209
where: short stacking energy: -36.406
Base-Backbone interact. energy: 1.337
local terms energy: -65.041499
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -370.410112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.410112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.410112 (E_RNA)
where:
Base-Base interactions energy: -249.276
where: short stacking energy: -105.926
Base-Backbone interact. energy: 0.105
local terms energy: -121.238957
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -25.177
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -34.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -312.237299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.237299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.237299 (E_RNA)
where:
Base-Base interactions energy: -206.596
where: short stacking energy: -80.027
Base-Backbone interact. energy: -0.348
local terms energy: -105.293745
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -24.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -336.222749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.222749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.222749 (E_RNA)
where:
Base-Base interactions energy: -229.021
where: short stacking energy: -89.582
Base-Backbone interact. energy: -2.239
local terms energy: -104.962954
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -25.379
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -23.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -293.085559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.085559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.085559 (E_RNA)
where:
Base-Base interactions energy: -182.659
where: short stacking energy: -86.625
Base-Backbone interact. energy: -0.072
local terms energy: -110.354556
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -28.233
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: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -277.612560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.612560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.612560 (E_RNA)
where:
Base-Base interactions energy: -184.090
where: short stacking energy: -87.765
Base-Backbone interact. energy: -0.506
local terms energy: -93.016188
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -291.015830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.015830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.015830 (E_RNA)
where:
Base-Base interactions energy: -199.822
where: short stacking energy: -77.848
Base-Backbone interact. energy: -0.542
local terms energy: -90.651722
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -218.899223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.899223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.899223 (E_RNA)
where:
Base-Base interactions energy: -138.843
where: short stacking energy: -66.743
Base-Backbone interact. energy: -0.624
local terms energy: -79.432179
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -234.032396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.032396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.032396 (E_RNA)
where:
Base-Base interactions energy: -150.786
where: short stacking energy: -69.586
Base-Backbone interact. energy: 0.155
local terms energy: -83.402045
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -114.351398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.351398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.351398 (E_RNA)
where:
Base-Base interactions energy: -47.451
where: short stacking energy: -42.270
Base-Backbone interact. energy: -0.667
local terms energy: -66.233178
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -0.342
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -234.730739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.730739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.730739 (E_RNA)
where:
Base-Base interactions energy: -151.369
where: short stacking energy: -75.599
Base-Backbone interact. energy: 0.429
local terms energy: -83.790973
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -369.507057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.507057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.507057 (E_RNA)
where:
Base-Base interactions energy: -256.338
where: short stacking energy: -111.217
Base-Backbone interact. energy: -0.119
local terms energy: -113.049868
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -20.434
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -32.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -353.631327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.631327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.631327 (E_RNA)
where:
Base-Base interactions energy: -244.574
where: short stacking energy: -97.802
Base-Backbone interact. energy: -1.082
local terms energy: -107.974917
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -25.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -301.407928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.407928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.407928 (E_RNA)
where:
Base-Base interactions energy: -196.391
where: short stacking energy: -86.512
Base-Backbone interact. energy: -0.331
local terms energy: -104.685363
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -25.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -289.192124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.192124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.192124 (E_RNA)
where:
Base-Base interactions energy: -185.511
where: short stacking energy: -80.695
Base-Backbone interact. energy: -0.845
local terms energy: -102.835874
where:
bonds (distance) C4'-P energy: -26.214
bonds (distance) P-C4' energy: -23.294
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -276.542715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.542715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.542715 (E_RNA)
where:
Base-Base interactions energy: -163.778
where: short stacking energy: -83.906
Base-Backbone interact. energy: -0.100
local terms energy: -112.665109
where:
bonds (distance) C4'-P energy: -24.567
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -19.177
tors. eta vs tors. theta energy: -24.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -284.018752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.018752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.018752 (E_RNA)
where:
Base-Base interactions energy: -185.927
where: short stacking energy: -87.628
Base-Backbone interact. energy: -0.048
local terms energy: -98.044079
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -22.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -236.578084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.578084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.578084 (E_RNA)
where:
Base-Base interactions energy: -145.022
where: short stacking energy: -77.318
Base-Backbone interact. energy: 2.767
local terms energy: -94.323596
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -250.318083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.318083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.318083 (E_RNA)
where:
Base-Base interactions energy: -166.307
where: short stacking energy: -75.124
Base-Backbone interact. energy: 0.365
local terms energy: -84.376293
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -20.916
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -122.996731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.996731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.996731 (E_RNA)
where:
Base-Base interactions energy: -43.594
where: short stacking energy: -43.041
Base-Backbone interact. energy: -0.543
local terms energy: -78.860205
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -260.820066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.820066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.820066 (E_RNA)
where:
Base-Base interactions energy: -168.656
where: short stacking energy: -81.561
Base-Backbone interact. energy: -0.737
local terms energy: -91.426390
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -370.907737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.907737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.907737 (E_RNA)
where:
Base-Base interactions energy: -250.718
where: short stacking energy: -110.676
Base-Backbone interact. energy: -0.033
local terms energy: -120.157110
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -35.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -326.895037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.895037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.895037 (E_RNA)
where:
Base-Base interactions energy: -223.602
where: short stacking energy: -88.267
Base-Backbone interact. energy: -0.072
local terms energy: -103.221396
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -19.797
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -311.248809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.248809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.248809 (E_RNA)
where:
Base-Base interactions energy: -209.739
where: short stacking energy: -80.714
Base-Backbone interact. energy: -0.708
local terms energy: -100.802390
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -273.593064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.593064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.593064 (E_RNA)
where:
Base-Base interactions energy: -178.625
where: short stacking energy: -75.792
Base-Backbone interact. energy: -0.114
local terms energy: -94.853813
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -13.719
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: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -278.239193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.239193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.239193 (E_RNA)
where:
Base-Base interactions energy: -173.562
where: short stacking energy: -71.036
Base-Backbone interact. energy: 0.541
local terms energy: -105.218148
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -262.426842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.426842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.426842 (E_RNA)
where:
Base-Base interactions energy: -174.312
where: short stacking energy: -74.935
Base-Backbone interact. energy: -0.779
local terms energy: -87.336505
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -253.913214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.913214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.913214 (E_RNA)
where:
Base-Base interactions energy: -163.090
where: short stacking energy: -76.530
Base-Backbone interact. energy: -0.303
local terms energy: -90.520619
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -23.789
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -19.168
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: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -254.945806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.945806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.945806 (E_RNA)
where:
Base-Base interactions energy: -164.183
where: short stacking energy: -79.881
Base-Backbone interact. energy: -0.104
local terms energy: -90.658838
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -239.400596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.400596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.400596 (E_RNA)
where:
Base-Base interactions energy: -152.177
where: short stacking energy: -64.015
Base-Backbone interact. energy: -0.266
local terms energy: -86.957222
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -112.156588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.156588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.156588 (E_RNA)
where:
Base-Base interactions energy: -46.308
where: short stacking energy: -30.298
Base-Backbone interact. energy: -0.570
local terms energy: -65.278848
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -22.952
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: 0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -369.163889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.163889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.163889 (E_RNA)
where:
Base-Base interactions energy: -252.616
where: short stacking energy: -114.798
Base-Backbone interact. energy: -0.021
local terms energy: -116.526626
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -33.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -315.620639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.620639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.620639 (E_RNA)
where:
Base-Base interactions energy: -207.236
where: short stacking energy: -87.471
Base-Backbone interact. energy: -0.341
local terms energy: -108.044008
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -19.239
tors. eta vs tors. theta energy: -23.395
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: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -328.466677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.466677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.466677 (E_RNA)
where:
Base-Base interactions energy: -224.512
where: short stacking energy: -103.629
Base-Backbone interact. energy: -0.717
local terms energy: -103.238013
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -25.376
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: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -276.928584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.928584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.928584 (E_RNA)
where:
Base-Base interactions energy: -180.177
where: short stacking energy: -86.609
Base-Backbone interact. energy: -0.589
local terms energy: -96.162623
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -23.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -262.973539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.973539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.973539 (E_RNA)
where:
Base-Base interactions energy: -171.677
where: short stacking energy: -80.797
Base-Backbone interact. energy: -0.022
local terms energy: -91.274017
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -263.906141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.906141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.906141 (E_RNA)
where:
Base-Base interactions energy: -180.588
where: short stacking energy: -77.524
Base-Backbone interact. energy: -0.685
local terms energy: -82.632313
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -240.396368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.396368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.396368 (E_RNA)
where:
Base-Base interactions energy: -169.321
where: short stacking energy: -74.148
Base-Backbone interact. energy: -0.175
local terms energy: -70.900991
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -236.961760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.961760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.961760 (E_RNA)
where:
Base-Base interactions energy: -144.075
where: short stacking energy: -58.275
Base-Backbone interact. energy: -0.709
local terms energy: -92.178266
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -22.383
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -230.231357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.231357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.231357 (E_RNA)
where:
Base-Base interactions energy: -139.066
where: short stacking energy: -63.370
Base-Backbone interact. energy: -0.090
local terms energy: -91.075459
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -113.292581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.292581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.292581 (E_RNA)
where:
Base-Base interactions energy: -45.501
where: short stacking energy: -30.935
Base-Backbone interact. energy: -0.334
local terms energy: -67.457763
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -366.770434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.770434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.770434 (E_RNA)
where:
Base-Base interactions energy: -252.603
where: short stacking energy: -108.625
Base-Backbone interact. energy: -0.071
local terms energy: -114.096525
where:
bonds (distance) C4'-P energy: -23.316
bonds (distance) P-C4' energy: -26.385
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -32.253
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: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -330.925714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.925714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.925714 (E_RNA)
where:
Base-Base interactions energy: -216.115
where: short stacking energy: -99.119
Base-Backbone interact. energy: -0.849
local terms energy: -113.960800
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -22.551
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -29.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -334.207430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.207430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.207430 (E_RNA)
where:
Base-Base interactions energy: -224.951
where: short stacking energy: -93.087
Base-Backbone interact. energy: -1.280
local terms energy: -107.975536
where:
bonds (distance) C4'-P energy: -25.007
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -25.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -283.721693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.721693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.721693 (E_RNA)
where:
Base-Base interactions energy: -176.228
where: short stacking energy: -81.970
Base-Backbone interact. energy: -0.306
local terms energy: -107.187538
where:
bonds (distance) C4'-P energy: -22.940
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -276.319740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.319740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.319740 (E_RNA)
where:
Base-Base interactions energy: -172.376
where: short stacking energy: -93.578
Base-Backbone interact. energy: -0.107
local terms energy: -103.836776
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -24.273
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: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -266.746850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.746850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.746850 (E_RNA)
where:
Base-Base interactions energy: -173.354
where: short stacking energy: -79.192
Base-Backbone interact. energy: -0.383
local terms energy: -93.010168
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -246.571327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.571327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.571327 (E_RNA)
where:
Base-Base interactions energy: -150.931
where: short stacking energy: -65.237
Base-Backbone interact. energy: -0.438
local terms energy: -95.201669
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -23.458
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -11.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -235.209073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.209073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.209073 (E_RNA)
where:
Base-Base interactions energy: -148.970
where: short stacking energy: -66.813
Base-Backbone interact. energy: -0.224
local terms energy: -86.014959
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -213.375774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.375774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.375774 (E_RNA)
where:
Base-Base interactions energy: -127.679
where: short stacking energy: -63.921
Base-Backbone interact. energy: -0.205
local terms energy: -85.492471
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -104.166978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.166978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.166978 (E_RNA)
where:
Base-Base interactions energy: -33.558
where: short stacking energy: -25.368
Base-Backbone interact. energy: -0.072
local terms energy: -70.537357
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: 3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -376.426822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.426822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.426822 (E_RNA)
where:
Base-Base interactions energy: -247.475
where: short stacking energy: -110.519
Base-Backbone interact. energy: -0.508
local terms energy: -128.444377
where:
bonds (distance) C4'-P energy: -22.951
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -28.472
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -34.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -343.163528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.163528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.163528 (E_RNA)
where:
Base-Base interactions energy: -238.562
where: short stacking energy: -97.117
Base-Backbone interact. energy: -0.989
local terms energy: -103.612191
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -22.495
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -20.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -319.267869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.267869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.267869 (E_RNA)
where:
Base-Base interactions energy: -211.545
where: short stacking energy: -89.579
Base-Backbone interact. energy: -1.114
local terms energy: -106.609129
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -24.848
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -24.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -278.510567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.510567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.510567 (E_RNA)
where:
Base-Base interactions energy: -183.670
where: short stacking energy: -91.178
Base-Backbone interact. energy: -0.130
local terms energy: -94.710584
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -24.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -270.829975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.829975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.829975 (E_RNA)
where:
Base-Base interactions energy: -169.584
where: short stacking energy: -81.117
Base-Backbone interact. energy: -0.226
local terms energy: -101.019830
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -26.519
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -23.609
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: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -283.295448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.295448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.295448 (E_RNA)
where:
Base-Base interactions energy: -181.218
where: short stacking energy: -87.829
Base-Backbone interact. energy: -0.169
local terms energy: -101.908192
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -22.994
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: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -266.539073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.539073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.539073 (E_RNA)
where:
Base-Base interactions energy: -180.681
where: short stacking energy: -71.162
Base-Backbone interact. energy: -0.927
local terms energy: -84.930702
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -255.050050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.050050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.050050 (E_RNA)
where:
Base-Base interactions energy: -161.634
where: short stacking energy: -79.637
Base-Backbone interact. energy: -0.137
local terms energy: -93.279592
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -233.744529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.744529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.744529 (E_RNA)
where:
Base-Base interactions energy: -155.329
where: short stacking energy: -71.987
Base-Backbone interact. energy: 0.565
local terms energy: -78.981419
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -105.227278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.227278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.227278 (E_RNA)
where:
Base-Base interactions energy: -42.267
where: short stacking energy: -38.783
Base-Backbone interact. energy: 0.285
local terms energy: -63.245847
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: 0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -358.717975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.717975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.717975 (E_RNA)
where:
Base-Base interactions energy: -241.482
where: short stacking energy: -102.905
Base-Backbone interact. energy: -0.041
local terms energy: -117.194012
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -26.717
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -31.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -352.165883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.165883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.165883 (E_RNA)
where:
Base-Base interactions energy: -239.876
where: short stacking energy: -100.942
Base-Backbone interact. energy: -0.474
local terms energy: -111.816341
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -22.576
flat angles C4'-P-C4' energy: -25.904
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -26.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -318.177483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.177483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.177483 (E_RNA)
where:
Base-Base interactions energy: -218.545
where: short stacking energy: -86.266
Base-Backbone interact. energy: -0.627
local terms energy: -99.005136
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -22.608
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -19.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -305.424302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.424302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.424302 (E_RNA)
where:
Base-Base interactions energy: -194.417
where: short stacking energy: -93.016
Base-Backbone interact. energy: -0.081
local terms energy: -110.926369
where:
bonds (distance) C4'-P energy: -26.445
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -26.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -280.047067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.047067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.047067 (E_RNA)
where:
Base-Base interactions energy: -184.988
where: short stacking energy: -85.470
Base-Backbone interact. energy: -0.109
local terms energy: -94.950508
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -269.111261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.111261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.111261 (E_RNA)
where:
Base-Base interactions energy: -164.453
where: short stacking energy: -75.275
Base-Backbone interact. energy: -0.244
local terms energy: -104.413746
where:
bonds (distance) C4'-P energy: -22.929
bonds (distance) P-C4' energy: -25.676
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -258.419613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.419613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.419613 (E_RNA)
where:
Base-Base interactions energy: -168.936
where: short stacking energy: -75.607
Base-Backbone interact. energy: 1.210
local terms energy: -90.693589
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -254.148630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.148630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.148630 (E_RNA)
where:
Base-Base interactions energy: -167.772
where: short stacking energy: -74.528
Base-Backbone interact. energy: -1.153
local terms energy: -85.223548
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -230.560878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.560878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.560878 (E_RNA)
where:
Base-Base interactions energy: -150.520
where: short stacking energy: -65.673
Base-Backbone interact. energy: -0.178
local terms energy: -79.862900
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -111.014078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.014078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.014078 (E_RNA)
where:
Base-Base interactions energy: -35.655
where: short stacking energy: -30.558
Base-Backbone interact. energy: 0.583
local terms energy: -75.941600
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -360.889392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.889392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.889392 (E_RNA)
where:
Base-Base interactions energy: -237.485
where: short stacking energy: -105.849
Base-Backbone interact. energy: -0.023
local terms energy: -123.381663
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: -35.918
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: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -356.300222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.300222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.300222 (E_RNA)
where:
Base-Base interactions energy: -241.703
where: short stacking energy: -97.216
Base-Backbone interact. energy: -1.917
local terms energy: -112.679631
where:
bonds (distance) C4'-P energy: -20.972
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -24.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -310.851034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.851034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.851034 (E_RNA)
where:
Base-Base interactions energy: -214.008
where: short stacking energy: -92.881
Base-Backbone interact. energy: -1.636
local terms energy: -95.207313
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -26.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -293.774891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.774891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.774891 (E_RNA)
where:
Base-Base interactions energy: -189.465
where: short stacking energy: -77.374
Base-Backbone interact. energy: -0.957
local terms energy: -103.352907
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: -22.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -287.425650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.425650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.425650 (E_RNA)
where:
Base-Base interactions energy: -186.432
where: short stacking energy: -98.767
Base-Backbone interact. energy: -0.264
local terms energy: -100.730102
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -22.378
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -22.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -273.002785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.002785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.002785 (E_RNA)
where:
Base-Base interactions energy: -177.107
where: short stacking energy: -77.800
Base-Backbone interact. energy: 0.005
local terms energy: -95.900250
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -23.146
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -250.670761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.670761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.670761 (E_RNA)
where:
Base-Base interactions energy: -161.706
where: short stacking energy: -68.868
Base-Backbone interact. energy: -0.697
local terms energy: -88.267532
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -240.205714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.205714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.205714 (E_RNA)
where:
Base-Base interactions energy: -156.449
where: short stacking energy: -71.347
Base-Backbone interact. energy: -0.101
local terms energy: -83.656328
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -20.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -240.413671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.413671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.413671 (E_RNA)
where:
Base-Base interactions energy: -154.081
where: short stacking energy: -68.327
Base-Backbone interact. energy: -0.102
local terms energy: -86.231547
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -109.379558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.379558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.379558 (E_RNA)
where:
Base-Base interactions energy: -39.661
where: short stacking energy: -38.551
Base-Backbone interact. energy: -0.380
local terms energy: -69.338298
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -371.882563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.882563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.882563 (E_RNA)
where:
Base-Base interactions energy: -260.432
where: short stacking energy: -104.414
Base-Backbone interact. energy: -1.600
local terms energy: -109.851154
where:
bonds (distance) C4'-P energy: -25.236
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -352.777829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.777829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.777829 (E_RNA)
where:
Base-Base interactions energy: -233.498
where: short stacking energy: -110.123
Base-Backbone interact. energy: -0.100
local terms energy: -119.179927
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -22.667
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -36.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -310.991443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.991443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.991443 (E_RNA)
where:
Base-Base interactions energy: -207.311
where: short stacking energy: -92.859
Base-Backbone interact. energy: -0.502
local terms energy: -103.178272
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -23.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -307.889946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.889946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.889946 (E_RNA)
where:
Base-Base interactions energy: -200.341
where: short stacking energy: -82.316
Base-Backbone interact. energy: -0.869
local terms energy: -106.680615
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -26.584
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -23.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -274.638891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.638891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.638891 (E_RNA)
where:
Base-Base interactions energy: -169.116
where: short stacking energy: -86.702
Base-Backbone interact. energy: -0.053
local terms energy: -105.470334
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -24.302
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: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -270.124044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.124044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.124044 (E_RNA)
where:
Base-Base interactions energy: -178.423
where: short stacking energy: -80.336
Base-Backbone interact. energy: -0.680
local terms energy: -91.021019
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -245.183315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.183315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.183315 (E_RNA)
where:
Base-Base interactions energy: -152.360
where: short stacking energy: -70.912
Base-Backbone interact. energy: 0.450
local terms energy: -93.273971
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -246.422272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.422272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.422272 (E_RNA)
where:
Base-Base interactions energy: -162.407
where: short stacking energy: -61.057
Base-Backbone interact. energy: 0.381
local terms energy: -84.396435
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -244.420578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.420578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.420578 (E_RNA)
where:
Base-Base interactions energy: -160.143
where: short stacking energy: -78.025
Base-Backbone interact. energy: 1.205
local terms energy: -85.482323
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -99.845725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.845725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.845725 (E_RNA)
where:
Base-Base interactions energy: -28.900
where: short stacking energy: -27.885
Base-Backbone interact. energy: -0.067
local terms energy: -70.878480
where:
bonds (distance) C4'-P energy: -26.590
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: 2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -369.720247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.720247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.720247 (E_RNA)
where:
Base-Base interactions energy: -260.322
where: short stacking energy: -93.478
Base-Backbone interact. energy: -0.899
local terms energy: -108.499727
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -26.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -363.096169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.096169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.096169 (E_RNA)
where:
Base-Base interactions energy: -246.781
where: short stacking energy: -104.668
Base-Backbone interact. energy: -0.198
local terms energy: -116.116950
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -23.793
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -33.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -317.244110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.244110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.244110 (E_RNA)
where:
Base-Base interactions energy: -210.976
where: short stacking energy: -99.070
Base-Backbone interact. energy: -2.764
local terms energy: -103.503793
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -23.144
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -28.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -289.043521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.043521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.043521 (E_RNA)
where:
Base-Base interactions energy: -185.016
where: short stacking energy: -91.467
Base-Backbone interact. energy: -1.423
local terms energy: -102.604643
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -26.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -271.606551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.606551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.606551 (E_RNA)
where:
Base-Base interactions energy: -180.321
where: short stacking energy: -74.874
Base-Backbone interact. energy: -0.406
local terms energy: -90.879543
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -262.212454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.212454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.212454 (E_RNA)
where:
Base-Base interactions energy: -178.604
where: short stacking energy: -65.811
Base-Backbone interact. energy: -0.098
local terms energy: -83.510156
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -231.577125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.577125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.577125 (E_RNA)
where:
Base-Base interactions energy: -150.620
where: short stacking energy: -67.576
Base-Backbone interact. energy: -0.173
local terms energy: -80.784315
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -11.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -229.176659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.176659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.176659 (E_RNA)
where:
Base-Base interactions energy: -146.170
where: short stacking energy: -53.052
Base-Backbone interact. energy: -0.845
local terms energy: -82.161473
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -10.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -250.249063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.249063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.249063 (E_RNA)
where:
Base-Base interactions energy: -158.616
where: short stacking energy: -75.516
Base-Backbone interact. energy: -1.355
local terms energy: -90.278814
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -110.457406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.457406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.457406 (E_RNA)
where:
Base-Base interactions energy: -49.908
where: short stacking energy: -42.911
Base-Backbone interact. energy: -0.163
local terms energy: -60.386415
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: 3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -371.975936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.975936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.975936 (E_RNA)
where:
Base-Base interactions energy: -257.109
where: short stacking energy: -109.891
Base-Backbone interact. energy: -0.032
local terms energy: -114.835590
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -28.448
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -32.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -362.477822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.477822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.477822 (E_RNA)
where:
Base-Base interactions energy: -261.980
where: short stacking energy: -88.150
Base-Backbone interact. energy: -0.787
local terms energy: -99.710301
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -26.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -288.455310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.455310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.455310 (E_RNA)
where:
Base-Base interactions energy: -184.808
where: short stacking energy: -93.033
Base-Backbone interact. energy: -0.073
local terms energy: -103.574171
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -24.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -282.774556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.774556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.774556 (E_RNA)
where:
Base-Base interactions energy: -184.309
where: short stacking energy: -96.037
Base-Backbone interact. energy: 0.320
local terms energy: -98.786266
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -270.074305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.074305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.074305 (E_RNA)
where:
Base-Base interactions energy: -170.013
where: short stacking energy: -86.267
Base-Backbone interact. energy: -0.044
local terms energy: -100.017222
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -267.008583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.008583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.008583 (E_RNA)
where:
Base-Base interactions energy: -175.330
where: short stacking energy: -89.033
Base-Backbone interact. energy: -0.129
local terms energy: -91.548912
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -22.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -236.252923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.252923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.252923 (E_RNA)
where:
Base-Base interactions energy: -148.889
where: short stacking energy: -72.776
Base-Backbone interact. energy: -0.448
local terms energy: -86.915996
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -207.269376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.269376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.269376 (E_RNA)
where:
Base-Base interactions energy: -127.201
where: short stacking energy: -52.618
Base-Backbone interact. energy: -0.081
local terms energy: -79.987885
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -24.404
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -205.748630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.748630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.748630 (E_RNA)
where:
Base-Base interactions energy: -129.872
where: short stacking energy: -71.502
Base-Backbone interact. energy: -0.396
local terms energy: -75.480165
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -119.983193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.983193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.983193 (E_RNA)
where:
Base-Base interactions energy: -56.959
where: short stacking energy: -32.919
Base-Backbone interact. energy: -0.288
local terms energy: -62.736432
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -380.839864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.839864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.839864 (E_RNA)
where:
Base-Base interactions energy: -256.543
where: short stacking energy: -118.223
Base-Backbone interact. energy: -0.035
local terms energy: -124.261076
where:
bonds (distance) C4'-P energy: -22.940
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -27.322
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -34.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -299.946181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.946181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.946181 (E_RNA)
where:
Base-Base interactions energy: -183.574
where: short stacking energy: -96.088
Base-Backbone interact. energy: -1.063
local terms energy: -115.309734
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -30.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -343.122648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.122648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.122648 (E_RNA)
where:
Base-Base interactions energy: -241.444
where: short stacking energy: -95.634
Base-Backbone interact. energy: -0.627
local terms energy: -101.051514
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -22.621
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -299.327266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.327266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.327266 (E_RNA)
where:
Base-Base interactions energy: -194.732
where: short stacking energy: -104.489
Base-Backbone interact. energy: -0.004
local terms energy: -104.591347
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -27.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -285.261837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.261837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.261837 (E_RNA)
where:
Base-Base interactions energy: -179.171
where: short stacking energy: -93.231
Base-Backbone interact. energy: -0.153
local terms energy: -105.937281
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -24.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -263.675306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.675306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.675306 (E_RNA)
where:
Base-Base interactions energy: -166.035
where: short stacking energy: -76.143
Base-Backbone interact. energy: -0.083
local terms energy: -97.557217
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -237.013584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.013584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.013584 (E_RNA)
where:
Base-Base interactions energy: -154.996
where: short stacking energy: -66.277
Base-Backbone interact. energy: -0.173
local terms energy: -81.845072
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -19.449
tors. eta vs tors. theta energy: -9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -219.876231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.876231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.876231 (E_RNA)
where:
Base-Base interactions energy: -119.422
where: short stacking energy: -56.795
Base-Backbone interact. energy: -0.073
local terms energy: -100.381006
where:
bonds (distance) C4'-P energy: -26.057
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -205.666739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.666739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.666739 (E_RNA)
where:
Base-Base interactions energy: -126.182
where: short stacking energy: -53.461
Base-Backbone interact. energy: -0.958
local terms energy: -78.526663
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -12.436
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: 10, replica: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -114.935032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.935032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.935032 (E_RNA)
where:
Base-Base interactions energy: -53.840
where: short stacking energy: -53.265
Base-Backbone interact. energy: -0.460
local terms energy: -60.635412
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -373.522757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.522757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.522757 (E_RNA)
where:
Base-Base interactions energy: -261.137
where: short stacking energy: -113.683
Base-Backbone interact. energy: -0.014
local terms energy: -112.371812
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -30.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -306.475578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.475578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.475578 (E_RNA)
where:
Base-Base interactions energy: -197.793
where: short stacking energy: -96.316
Base-Backbone interact. energy: -0.140
local terms energy: -108.542321
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -346.226481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.226481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.226481 (E_RNA)
where:
Base-Base interactions energy: -242.214
where: short stacking energy: -82.601
Base-Backbone interact. energy: -1.731
local terms energy: -102.281528
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -281.986638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.986638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.986638 (E_RNA)
where:
Base-Base interactions energy: -182.141
where: short stacking energy: -89.878
Base-Backbone interact. energy: -0.030
local terms energy: -99.815381
where:
bonds (distance) C4'-P energy: -25.353
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -28.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -272.973171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.973171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.973171 (E_RNA)
where:
Base-Base interactions energy: -181.256
where: short stacking energy: -97.353
Base-Backbone interact. energy: -0.065
local terms energy: -91.651915
where:
bonds (distance) C4'-P energy: -20.232
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -26.423
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: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -265.912236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.912236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.912236 (E_RNA)
where:
Base-Base interactions energy: -167.370
where: short stacking energy: -76.714
Base-Backbone interact. energy: -0.073
local terms energy: -98.470086
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -223.528798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.528798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.528798 (E_RNA)
where:
Base-Base interactions energy: -136.595
where: short stacking energy: -75.916
Base-Backbone interact. energy: -0.432
local terms energy: -86.501868
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -20.585
tors. eta vs tors. theta energy: -18.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -205.281481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.281481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.281481 (E_RNA)
where:
Base-Base interactions energy: -135.386
where: short stacking energy: -64.140
Base-Backbone interact. energy: -0.526
local terms energy: -69.369367
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -8.262
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -10.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -226.879947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.879947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.879947 (E_RNA)
where:
Base-Base interactions energy: -149.527
where: short stacking energy: -60.375
Base-Backbone interact. energy: 3.215
local terms energy: -80.567836
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -114.645071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.645071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.645071 (E_RNA)
where:
Base-Base interactions energy: -53.277
where: short stacking energy: -29.765
Base-Backbone interact. energy: -0.425
local terms energy: -60.942650
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -368.048682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.048682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.048682 (E_RNA)
where:
Base-Base interactions energy: -252.712
where: short stacking energy: -110.483
Base-Backbone interact. energy: 0.000
local terms energy: -115.337071
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -24.392
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -31.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -359.091238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.091238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.091238 (E_RNA)
where:
Base-Base interactions energy: -242.656
where: short stacking energy: -93.327
Base-Backbone interact. energy: -1.866
local terms energy: -114.569336
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -27.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -299.646968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.646968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.646968 (E_RNA)
where:
Base-Base interactions energy: -195.017
where: short stacking energy: -86.400
Base-Backbone interact. energy: -0.952
local terms energy: -103.678249
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -24.466
flat angles C4'-P-C4' energy: -24.081
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -284.062082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.062082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.062082 (E_RNA)
where:
Base-Base interactions energy: -179.700
where: short stacking energy: -85.025
Base-Backbone interact. energy: -0.429
local terms energy: -103.932672
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -22.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -270.961002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.961002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.961002 (E_RNA)
where:
Base-Base interactions energy: -168.650
where: short stacking energy: -87.543
Base-Backbone interact. energy: -0.105
local terms energy: -102.206311
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -227.050042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.050042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.050042 (E_RNA)
where:
Base-Base interactions energy: -139.204
where: short stacking energy: -72.448
Base-Backbone interact. energy: -0.396
local terms energy: -87.450102
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -11.187
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: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -248.237979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.237979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.237979 (E_RNA)
where:
Base-Base interactions energy: -165.727
where: short stacking energy: -81.205
Base-Backbone interact. energy: -0.538
local terms energy: -81.973610
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -249.809403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.809403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.809403 (E_RNA)
where:
Base-Base interactions energy: -157.767
where: short stacking energy: -65.227
Base-Backbone interact. energy: -0.131
local terms energy: -91.910620
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -19.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -196.456518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.456518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.456518 (E_RNA)
where:
Base-Base interactions energy: -132.101
where: short stacking energy: -41.034
Base-Backbone interact. energy: -0.138
local terms energy: -64.217561
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -128.361887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.361887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.361887 (E_RNA)
where:
Base-Base interactions energy: -51.284
where: short stacking energy: -49.742
Base-Backbone interact. energy: -0.174
local terms energy: -76.903742
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -370.718219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.718219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.718219 (E_RNA)
where:
Base-Base interactions energy: -247.723
where: short stacking energy: -109.357
Base-Backbone interact. energy: -0.221
local terms energy: -122.773752
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -34.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -350.646772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.646772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.646772 (E_RNA)
where:
Base-Base interactions energy: -244.484
where: short stacking energy: -100.796
Base-Backbone interact. energy: 0.688
local terms energy: -106.851119
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -30.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -303.740740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.740740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.740740 (E_RNA)
where:
Base-Base interactions energy: -188.136
where: short stacking energy: -94.955
Base-Backbone interact. energy: -0.015
local terms energy: -115.589702
where:
bonds (distance) C4'-P energy: -24.736
bonds (distance) P-C4' energy: -27.185
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -27.652
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: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -279.514081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.514081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.514081 (E_RNA)
where:
Base-Base interactions energy: -180.561
where: short stacking energy: -73.134
Base-Backbone interact. energy: -0.437
local terms energy: -98.515850
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -272.111051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.111051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.111051 (E_RNA)
where:
Base-Base interactions energy: -181.841
where: short stacking energy: -80.141
Base-Backbone interact. energy: -0.113
local terms energy: -90.156635
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -274.985300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.985300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.985300 (E_RNA)
where:
Base-Base interactions energy: -177.127
where: short stacking energy: -72.271
Base-Backbone interact. energy: -1.374
local terms energy: -96.484484
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -19.452
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: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -269.458820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.458820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.458820 (E_RNA)
where:
Base-Base interactions energy: -166.654
where: short stacking energy: -78.815
Base-Backbone interact. energy: -0.539
local terms energy: -102.266196
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -23.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -246.835929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.835929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.835929 (E_RNA)
where:
Base-Base interactions energy: -157.436
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.644
local terms energy: -88.756122
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -12.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -219.485153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.485153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.485153 (E_RNA)
where:
Base-Base interactions energy: -145.611
where: short stacking energy: -64.877
Base-Backbone interact. energy: -0.016
local terms energy: -73.858658
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -110.498498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.498498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.498498 (E_RNA)
where:
Base-Base interactions energy: -52.565
where: short stacking energy: -38.521
Base-Backbone interact. energy: -0.729
local terms energy: -57.204892
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -368.030182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.030182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.030182 (E_RNA)
where:
Base-Base interactions energy: -254.241
where: short stacking energy: -117.655
Base-Backbone interact. energy: 0.981
local terms energy: -114.770372
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -33.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -328.413135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.413135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.413135 (E_RNA)
where:
Base-Base interactions energy: -229.272
where: short stacking energy: -93.037
Base-Backbone interact. energy: -1.904
local terms energy: -97.236483
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -290.029421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.029421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.029421 (E_RNA)
where:
Base-Base interactions energy: -193.849
where: short stacking energy: -87.864
Base-Backbone interact. energy: -0.370
local terms energy: -95.809975
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -23.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -283.831063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.831063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.831063 (E_RNA)
where:
Base-Base interactions energy: -190.043
where: short stacking energy: -77.963
Base-Backbone interact. energy: -0.428
local terms energy: -93.360664
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -276.640589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.640589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.640589 (E_RNA)
where:
Base-Base interactions energy: -169.798
where: short stacking energy: -80.523
Base-Backbone interact. energy: -0.043
local terms energy: -106.799447
where:
bonds (distance) C4'-P energy: -22.746
bonds (distance) P-C4' energy: -26.444
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -272.979797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.979797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.979797 (E_RNA)
where:
Base-Base interactions energy: -178.334
where: short stacking energy: -84.095
Base-Backbone interact. energy: -0.534
local terms energy: -94.111385
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -23.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -260.260231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.260231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.260231 (E_RNA)
where:
Base-Base interactions energy: -159.119
where: short stacking energy: -80.280
Base-Backbone interact. energy: -0.118
local terms energy: -101.023719
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -25.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -225.116002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.116002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.116002 (E_RNA)
where:
Base-Base interactions energy: -135.116
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.178
local terms energy: -89.821888
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -194.115171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.115171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.115171 (E_RNA)
where:
Base-Base interactions energy: -124.807
where: short stacking energy: -48.157
Base-Backbone interact. energy: 1.238
local terms energy: -70.546687
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -3.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -109.105292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.105292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.105292 (E_RNA)
where:
Base-Base interactions energy: -43.002
where: short stacking energy: -38.533
Base-Backbone interact. energy: 0.280
local terms energy: -66.383917
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: 3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -350.120855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.120855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.120855 (E_RNA)
where:
Base-Base interactions energy: -240.279
where: short stacking energy: -97.567
Base-Backbone interact. energy: -0.421
local terms energy: -109.420568
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -28.007
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -24.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -347.682489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.682489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.682489 (E_RNA)
where:
Base-Base interactions energy: -236.997
where: short stacking energy: -101.991
Base-Backbone interact. energy: -0.055
local terms energy: -110.631321
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -25.937
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -28.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -299.657991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.657991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.657991 (E_RNA)
where:
Base-Base interactions energy: -197.669
where: short stacking energy: -109.143
Base-Backbone interact. energy: -0.078
local terms energy: -101.911155
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -33.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -281.529658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.529658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.529658 (E_RNA)
where:
Base-Base interactions energy: -180.163
where: short stacking energy: -96.424
Base-Backbone interact. energy: -0.113
local terms energy: -101.253539
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -22.804
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: -24.889
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: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -274.666680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.666680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.666680 (E_RNA)
where:
Base-Base interactions energy: -173.038
where: short stacking energy: -89.597
Base-Backbone interact. energy: -1.085
local terms energy: -100.543678
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -263.678531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.678531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.678531 (E_RNA)
where:
Base-Base interactions energy: -173.615
where: short stacking energy: -88.133
Base-Backbone interact. energy: 0.328
local terms energy: -90.391785
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -214.339329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.339329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.339329 (E_RNA)
where:
Base-Base interactions energy: -130.933
where: short stacking energy: -72.497
Base-Backbone interact. energy: -0.144
local terms energy: -83.261827
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -247.824870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.824870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.824870 (E_RNA)
where:
Base-Base interactions energy: -163.673
where: short stacking energy: -75.495
Base-Backbone interact. energy: -0.590
local terms energy: -83.562141
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -18.267
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -12.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -233.527116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.527116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.527116 (E_RNA)
where:
Base-Base interactions energy: -154.187
where: short stacking energy: -61.128
Base-Backbone interact. energy: 0.184
local terms energy: -79.524118
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -103.213780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.213780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.213780 (E_RNA)
where:
Base-Base interactions energy: -44.412
where: short stacking energy: -33.646
Base-Backbone interact. energy: -0.059
local terms energy: -58.742740
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: 2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -356.880601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.880601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.880601 (E_RNA)
where:
Base-Base interactions energy: -244.589
where: short stacking energy: -94.620
Base-Backbone interact. energy: -0.554
local terms energy: -111.737189
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -26.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -361.393878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.393878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.393878 (E_RNA)
where:
Base-Base interactions energy: -244.268
where: short stacking energy: -106.603
Base-Backbone interact. energy: -0.103
local terms energy: -117.023074
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -23.317
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -34.726
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: 307
Temperature: 1.000000
Total energy: -296.832148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.832148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.832148 (E_RNA)
where:
Base-Base interactions energy: -182.706
where: short stacking energy: -90.177
Base-Backbone interact. energy: -0.222
local terms energy: -113.904282
where:
bonds (distance) C4'-P energy: -23.965
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -26.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -281.048612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.048612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.048612 (E_RNA)
where:
Base-Base interactions energy: -186.477
where: short stacking energy: -96.275
Base-Backbone interact. energy: -0.140
local terms energy: -94.431553
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -23.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -275.880606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.880606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.880606 (E_RNA)
where:
Base-Base interactions energy: -177.580
where: short stacking energy: -87.374
Base-Backbone interact. energy: -0.625
local terms energy: -97.674963
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -19.240
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -268.668303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.668303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.668303 (E_RNA)
where:
Base-Base interactions energy: -170.605
where: short stacking energy: -88.418
Base-Backbone interact. energy: -0.042
local terms energy: -98.021153
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -22.872
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -24.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -220.389402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.389402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.389402 (E_RNA)
where:
Base-Base interactions energy: -126.988
where: short stacking energy: -61.542
Base-Backbone interact. energy: -0.015
local terms energy: -93.386049
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -232.303685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.303685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.303685 (E_RNA)
where:
Base-Base interactions energy: -140.942
where: short stacking energy: -62.349
Base-Backbone interact. energy: -1.012
local terms energy: -90.349421
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -14.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -223.563321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.563321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.563321 (E_RNA)
where:
Base-Base interactions energy: -144.428
where: short stacking energy: -55.438
Base-Backbone interact. energy: -0.331
local terms energy: -78.804905
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -8.876
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: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -101.568152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.568152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.568152 (E_RNA)
where:
Base-Base interactions energy: -50.727
where: short stacking energy: -41.912
Base-Backbone interact. energy: -0.746
local terms energy: -50.094440
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: 1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -360.222539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.222539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.222539 (E_RNA)
where:
Base-Base interactions energy: -253.060
where: short stacking energy: -100.854
Base-Backbone interact. energy: 0.652
local terms energy: -107.814334
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -24.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -347.188501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.188501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.188501 (E_RNA)
where:
Base-Base interactions energy: -232.972
where: short stacking energy: -104.293
Base-Backbone interact. energy: -0.015
local terms energy: -114.201710
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -35.583
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: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -288.480804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.480804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.480804 (E_RNA)
where:
Base-Base interactions energy: -180.955
where: short stacking energy: -68.583
Base-Backbone interact. energy: 0.488
local terms energy: -108.013883
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -290.395811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.395811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.395811 (E_RNA)
where:
Base-Base interactions energy: -187.515
where: short stacking energy: -97.407
Base-Backbone interact. energy: -0.200
local terms energy: -102.681338
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -285.010984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.010984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.010984 (E_RNA)
where:
Base-Base interactions energy: -191.177
where: short stacking energy: -92.306
Base-Backbone interact. energy: -0.120
local terms energy: -93.713481
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -254.201956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.201956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.201956 (E_RNA)
where:
Base-Base interactions energy: -162.342
where: short stacking energy: -68.968
Base-Backbone interact. energy: -0.811
local terms energy: -91.048685
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -253.744576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.744576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.744576 (E_RNA)
where:
Base-Base interactions energy: -167.582
where: short stacking energy: -82.283
Base-Backbone interact. energy: -0.325
local terms energy: -85.838002
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -209.554640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.554640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.554640 (E_RNA)
where:
Base-Base interactions energy: -129.036
where: short stacking energy: -64.066
Base-Backbone interact. energy: -0.500
local terms energy: -80.018948
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -11.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -230.985907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.985907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.985907 (E_RNA)
where:
Base-Base interactions energy: -141.756
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.019
local terms energy: -89.210499
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -117.350828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.350828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.350828 (E_RNA)
where:
Base-Base interactions energy: -53.915
where: short stacking energy: -35.242
Base-Backbone interact. energy: 0.914
local terms energy: -64.349624
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -362.657774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.657774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.657774 (E_RNA)
where:
Base-Base interactions energy: -240.688
where: short stacking energy: -108.650
Base-Backbone interact. energy: -0.697
local terms energy: -121.273481
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -26.974
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -34.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -314.037652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.037652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.037652 (E_RNA)
where:
Base-Base interactions energy: -197.163
where: short stacking energy: -91.039
Base-Backbone interact. energy: -0.174
local terms energy: -116.700978
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -23.852
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -27.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -346.547194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.547194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.547194 (E_RNA)
where:
Base-Base interactions energy: -224.373
where: short stacking energy: -96.210
Base-Backbone interact. energy: -0.018
local terms energy: -122.156008
where:
bonds (distance) C4'-P energy: -24.076
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -26.233
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -29.090
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: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -285.682811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.682811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.682811 (E_RNA)
where:
Base-Base interactions energy: -182.487
where: short stacking energy: -81.908
Base-Backbone interact. energy: -0.116
local terms energy: -103.079846
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -26.553
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -277.205002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.205002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.205002 (E_RNA)
where:
Base-Base interactions energy: -178.823
where: short stacking energy: -86.337
Base-Backbone interact. energy: -0.173
local terms energy: -98.208730
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -275.336231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.336231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.336231 (E_RNA)
where:
Base-Base interactions energy: -177.263
where: short stacking energy: -84.797
Base-Backbone interact. energy: -0.113
local terms energy: -97.960146
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -234.781045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.781045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.781045 (E_RNA)
where:
Base-Base interactions energy: -146.799
where: short stacking energy: -65.649
Base-Backbone interact. energy: 1.176
local terms energy: -89.158235
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -225.818136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.818136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.818136 (E_RNA)
where:
Base-Base interactions energy: -160.126
where: short stacking energy: -74.351
Base-Backbone interact. energy: 1.279
local terms energy: -66.971358
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -220.620277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.620277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.620277 (E_RNA)
where:
Base-Base interactions energy: -143.817
where: short stacking energy: -57.745
Base-Backbone interact. energy: -1.071
local terms energy: -75.731928
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -104.056828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.056828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.056828 (E_RNA)
where:
Base-Base interactions energy: -29.932
where: short stacking energy: -29.830
Base-Backbone interact. energy: -0.392
local terms energy: -73.732667
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: 3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -362.203892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.203892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.203892 (E_RNA)
where:
Base-Base interactions energy: -251.583
where: short stacking energy: -110.963
Base-Backbone interact. energy: -0.631
local terms energy: -109.989779
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -27.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -316.342382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.342382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.342382 (E_RNA)
where:
Base-Base interactions energy: -208.774
where: short stacking energy: -96.409
Base-Backbone interact. energy: -0.621
local terms energy: -106.947085
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -26.826
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -23.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -342.618039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.618039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.618039 (E_RNA)
where:
Base-Base interactions energy: -226.289
where: short stacking energy: -99.453
Base-Backbone interact. energy: -0.040
local terms energy: -116.289469
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -286.776445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.776445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.776445 (E_RNA)
where:
Base-Base interactions energy: -179.363
where: short stacking energy: -95.220
Base-Backbone interact. energy: -0.130
local terms energy: -107.283617
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: -24.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -268.030444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.030444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.030444 (E_RNA)
where:
Base-Base interactions energy: -167.294
where: short stacking energy: -75.473
Base-Backbone interact. energy: -0.369
local terms energy: -100.366575
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -25.904
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -270.071425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.071425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.071425 (E_RNA)
where:
Base-Base interactions energy: -177.388
where: short stacking energy: -85.092
Base-Backbone interact. energy: -0.027
local terms energy: -92.656252
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -26.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -231.917126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.917126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.917126 (E_RNA)
where:
Base-Base interactions energy: -149.894
where: short stacking energy: -74.713
Base-Backbone interact. energy: -0.569
local terms energy: -81.453976
where:
bonds (distance) C4'-P energy: -7.844
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -231.290182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.290182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.290182 (E_RNA)
where:
Base-Base interactions energy: -151.665
where: short stacking energy: -59.943
Base-Backbone interact. energy: 2.287
local terms energy: -81.912077
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -7.436
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: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -191.758260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.758260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.758260 (E_RNA)
where:
Base-Base interactions energy: -120.381
where: short stacking energy: -43.885
Base-Backbone interact. energy: -0.189
local terms energy: -71.188235
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -7.846
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: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -109.649198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.649198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.649198 (E_RNA)
where:
Base-Base interactions energy: -33.694
where: short stacking energy: -27.425
Base-Backbone interact. energy: -0.317
local terms energy: -75.638519
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -362.207207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.207207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.207207 (E_RNA)
where:
Base-Base interactions energy: -246.333
where: short stacking energy: -101.698
Base-Backbone interact. energy: -0.793
local terms energy: -115.081492
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -32.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -360.219476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.219476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.219476 (E_RNA)
where:
Base-Base interactions energy: -241.648
where: short stacking energy: -109.798
Base-Backbone interact. energy: -0.484
local terms energy: -118.087520
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -24.161
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -32.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -298.816329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.816329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.816329 (E_RNA)
where:
Base-Base interactions energy: -193.570
where: short stacking energy: -86.852
Base-Backbone interact. energy: -0.409
local terms energy: -104.837801
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -22.379
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -15.333
tors. eta vs tors. theta energy: -24.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -288.811718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.811718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.811718 (E_RNA)
where:
Base-Base interactions energy: -185.390
where: short stacking energy: -95.010
Base-Backbone interact. energy: -0.425
local terms energy: -102.997062
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -26.402
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: 311
Temperature: 1.100000
Total energy: -272.176770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.176770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.176770 (E_RNA)
where:
Base-Base interactions energy: -167.611
where: short stacking energy: -82.114
Base-Backbone interact. energy: -0.496
local terms energy: -104.069757
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -26.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -275.675880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.675880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.675880 (E_RNA)
where:
Base-Base interactions energy: -178.219
where: short stacking energy: -94.085
Base-Backbone interact. energy: -0.012
local terms energy: -97.445264
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -27.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -213.015766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.015766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.015766 (E_RNA)
where:
Base-Base interactions energy: -134.659
where: short stacking energy: -68.248
Base-Backbone interact. energy: 1.262
local terms energy: -79.618412
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -241.734196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.734196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.734196 (E_RNA)
where:
Base-Base interactions energy: -155.839
where: short stacking energy: -65.723
Base-Backbone interact. energy: -0.195
local terms energy: -85.700438
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -203.455139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.455139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.455139 (E_RNA)
where:
Base-Base interactions energy: -126.539
where: short stacking energy: -54.789
Base-Backbone interact. energy: -0.448
local terms energy: -76.468148
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -8.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -124.414607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.414607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.414607 (E_RNA)
where:
Base-Base interactions energy: -64.102
where: short stacking energy: -36.359
Base-Backbone interact. energy: -0.212
local terms energy: -60.100972
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: 4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -363.136461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.136461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.136461 (E_RNA)
where:
Base-Base interactions energy: -244.029
where: short stacking energy: -100.650
Base-Backbone interact. energy: -0.100
local terms energy: -119.006701
where:
bonds (distance) C4'-P energy: -24.802
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -29.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -353.726089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.726089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.726089 (E_RNA)
where:
Base-Base interactions energy: -243.604
where: short stacking energy: -101.955
Base-Backbone interact. energy: -1.172
local terms energy: -108.949262
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -30.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -295.567951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.567951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.567951 (E_RNA)
where:
Base-Base interactions energy: -197.739
where: short stacking energy: -96.100
Base-Backbone interact. energy: -0.370
local terms energy: -97.458745
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -23.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -284.167344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.167344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.167344 (E_RNA)
where:
Base-Base interactions energy: -182.169
where: short stacking energy: -85.618
Base-Backbone interact. energy: -0.795
local terms energy: -101.202626
where:
bonds (distance) C4'-P energy: -22.426
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -18.864
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: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -272.158923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.158923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.158923 (E_RNA)
where:
Base-Base interactions energy: -169.084
where: short stacking energy: -86.360
Base-Backbone interact. energy: -0.492
local terms energy: -102.582626
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -254.686988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.686988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.686988 (E_RNA)
where:
Base-Base interactions energy: -159.579
where: short stacking energy: -82.134
Base-Backbone interact. energy: -0.147
local terms energy: -94.960946
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -246.964587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.964587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.964587 (E_RNA)
where:
Base-Base interactions energy: -158.374
where: short stacking energy: -72.183
Base-Backbone interact. energy: -0.109
local terms energy: -88.481403
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -9.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -259.515415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.515415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.515415 (E_RNA)
where:
Base-Base interactions energy: -164.666
where: short stacking energy: -80.346
Base-Backbone interact. energy: 0.286
local terms energy: -95.134582
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -197.269287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.269287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.269287 (E_RNA)
where:
Base-Base interactions energy: -115.345
where: short stacking energy: -42.349
Base-Backbone interact. energy: -0.320
local terms energy: -81.604457
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -113.020078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.020078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.020078 (E_RNA)
where:
Base-Base interactions energy: -47.119
where: short stacking energy: -45.935
Base-Backbone interact. energy: -0.332
local terms energy: -65.569241
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -357.552316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.552316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.552316 (E_RNA)
where:
Base-Base interactions energy: -242.025
where: short stacking energy: -98.700
Base-Backbone interact. energy: -0.033
local terms energy: -115.494033
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -32.371
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: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -352.487842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.487842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.487842 (E_RNA)
where:
Base-Base interactions energy: -259.329
where: short stacking energy: -97.101
Base-Backbone interact. energy: -1.301
local terms energy: -91.857730
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -26.612
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: 313
Temperature: 1.000000
Total energy: -296.667209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.667209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.667209 (E_RNA)
where:
Base-Base interactions energy: -190.303
where: short stacking energy: -102.835
Base-Backbone interact. energy: -0.370
local terms energy: -105.994774
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -27.460
flat angles C4'-P-C4' energy: -21.651
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -25.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -295.550754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.550754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.550754 (E_RNA)
where:
Base-Base interactions energy: -186.859
where: short stacking energy: -97.811
Base-Backbone interact. energy: -0.106
local terms energy: -108.585355
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -25.084
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -26.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -262.461322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.461322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.461322 (E_RNA)
where:
Base-Base interactions energy: -160.821
where: short stacking energy: -76.370
Base-Backbone interact. energy: -0.777
local terms energy: -100.863618
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -260.925176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.925176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.925176 (E_RNA)
where:
Base-Base interactions energy: -167.646
where: short stacking energy: -80.506
Base-Backbone interact. energy: 2.143
local terms energy: -95.422760
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -256.480264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.480264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.480264 (E_RNA)
where:
Base-Base interactions energy: -165.368
where: short stacking energy: -75.393
Base-Backbone interact. energy: -0.146
local terms energy: -90.966271
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -222.946446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.946446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.946446 (E_RNA)
where:
Base-Base interactions energy: -130.810
where: short stacking energy: -65.043
Base-Backbone interact. energy: 0.694
local terms energy: -92.830621
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -213.851316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.851316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.851316 (E_RNA)
where:
Base-Base interactions energy: -132.908
where: short stacking energy: -48.394
Base-Backbone interact. energy: -0.612
local terms energy: -80.331304
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -114.018427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.018427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.018427 (E_RNA)
where:
Base-Base interactions energy: -48.220
where: short stacking energy: -30.967
Base-Backbone interact. energy: -0.465
local terms energy: -65.333667
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: 6.241
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: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -367.728102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.728102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.728102 (E_RNA)
where:
Base-Base interactions energy: -241.134
where: short stacking energy: -111.193
Base-Backbone interact. energy: -0.097
local terms energy: -126.497075
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -34.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -330.634774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.634774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.634774 (E_RNA)
where:
Base-Base interactions energy: -226.315
where: short stacking energy: -95.078
Base-Backbone interact. energy: -1.266
local terms energy: -103.054089
where:
bonds (distance) C4'-P energy: -23.189
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -305.474252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.474252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.474252 (E_RNA)
where:
Base-Base interactions energy: -194.412
where: short stacking energy: -97.465
Base-Backbone interact. energy: -0.085
local terms energy: -110.977614
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -29.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -280.037292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.037292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.037292 (E_RNA)
where:
Base-Base interactions energy: -188.903
where: short stacking energy: -83.944
Base-Backbone interact. energy: -0.299
local terms energy: -90.835557
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -18.511
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: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -277.497858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.497858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.497858 (E_RNA)
where:
Base-Base interactions energy: -182.406
where: short stacking energy: -81.215
Base-Backbone interact. energy: -0.183
local terms energy: -94.908198
where:
bonds (distance) C4'-P energy: -24.858
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -275.734147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.734147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.734147 (E_RNA)
where:
Base-Base interactions energy: -172.102
where: short stacking energy: -79.994
Base-Backbone interact. energy: -0.508
local terms energy: -103.124463
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -255.857683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.857683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.857683 (E_RNA)
where:
Base-Base interactions energy: -160.933
where: short stacking energy: -75.053
Base-Backbone interact. energy: -0.116
local terms energy: -94.808880
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -18.867
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -225.555196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.555196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.555196 (E_RNA)
where:
Base-Base interactions energy: -133.346
where: short stacking energy: -66.436
Base-Backbone interact. energy: -0.231
local terms energy: -91.978297
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -12.455
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: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -203.322084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.322084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.322084 (E_RNA)
where:
Base-Base interactions energy: -130.682
where: short stacking energy: -55.759
Base-Backbone interact. energy: -0.144
local terms energy: -72.495646
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -102.572247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.572247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.572247 (E_RNA)
where:
Base-Base interactions energy: -24.898
where: short stacking energy: -19.757
Base-Backbone interact. energy: -0.397
local terms energy: -77.276869
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -11.703
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: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -363.519223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.519223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.519223 (E_RNA)
where:
Base-Base interactions energy: -244.576
where: short stacking energy: -109.637
Base-Backbone interact. energy: -0.731
local terms energy: -118.212835
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -34.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -319.838265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.838265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.838265 (E_RNA)
where:
Base-Base interactions energy: -214.258
where: short stacking energy: -91.229
Base-Backbone interact. energy: -1.682
local terms energy: -103.898107
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -24.811
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: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -298.764674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.764674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.764674 (E_RNA)
where:
Base-Base interactions energy: -193.479
where: short stacking energy: -106.284
Base-Backbone interact. energy: -0.060
local terms energy: -105.225156
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -24.308
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -24.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -281.887608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.887608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.887608 (E_RNA)
where:
Base-Base interactions energy: -196.730
where: short stacking energy: -75.629
Base-Backbone interact. energy: -1.228
local terms energy: -83.929113
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -279.314682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.314682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.314682 (E_RNA)
where:
Base-Base interactions energy: -179.604
where: short stacking energy: -83.229
Base-Backbone interact. energy: 0.326
local terms energy: -100.036226
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -23.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -272.514800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.514800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.514800 (E_RNA)
where:
Base-Base interactions energy: -171.900
where: short stacking energy: -76.319
Base-Backbone interact. energy: -0.995
local terms energy: -99.619551
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -258.236257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.236257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.236257 (E_RNA)
where:
Base-Base interactions energy: -167.958
where: short stacking energy: -60.983
Base-Backbone interact. energy: -0.449
local terms energy: -89.829154
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -216.418230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.418230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.418230 (E_RNA)
where:
Base-Base interactions energy: -130.583
where: short stacking energy: -63.972
Base-Backbone interact. energy: -0.300
local terms energy: -85.535794
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -175.394697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.394697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.394697 (E_RNA)
where:
Base-Base interactions energy: -99.911
where: short stacking energy: -37.088
Base-Backbone interact. energy: 0.430
local terms energy: -75.913255
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -6.458
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: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -107.073736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.073736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.073736 (E_RNA)
where:
Base-Base interactions energy: -36.840
where: short stacking energy: -34.400
Base-Backbone interact. energy: -0.069
local terms energy: -70.165208
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -364.354597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.354597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.354597 (E_RNA)
where:
Base-Base interactions energy: -254.480
where: short stacking energy: -103.107
Base-Backbone interact. energy: 1.524
local terms energy: -111.398156
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -31.898
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: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -322.410382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.410382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.410382 (E_RNA)
where:
Base-Base interactions energy: -217.231
where: short stacking energy: -91.110
Base-Backbone interact. energy: 1.042
local terms energy: -106.221492
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -26.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -293.610982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.610982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.610982 (E_RNA)
where:
Base-Base interactions energy: -178.924
where: short stacking energy: -91.268
Base-Backbone interact. energy: -0.750
local terms energy: -113.937181
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -27.739
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: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -277.372637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.372637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.372637 (E_RNA)
where:
Base-Base interactions energy: -172.319
where: short stacking energy: -82.357
Base-Backbone interact. energy: -0.021
local terms energy: -105.032893
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -24.905
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -272.341574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.341574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.341574 (E_RNA)
where:
Base-Base interactions energy: -182.454
where: short stacking energy: -77.034
Base-Backbone interact. energy: -0.106
local terms energy: -89.780704
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -13.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -263.400152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.400152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.400152 (E_RNA)
where:
Base-Base interactions energy: -168.187
where: short stacking energy: -73.271
Base-Backbone interact. energy: -0.375
local terms energy: -94.837783
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -253.255956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.255956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.255956 (E_RNA)
where:
Base-Base interactions energy: -166.149
where: short stacking energy: -73.357
Base-Backbone interact. energy: -0.785
local terms energy: -86.322380
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -12.772
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: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -237.086253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.086253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.086253 (E_RNA)
where:
Base-Base interactions energy: -153.450
where: short stacking energy: -67.154
Base-Backbone interact. energy: -0.204
local terms energy: -83.431578
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -9.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -193.755280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.755280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.755280 (E_RNA)
where:
Base-Base interactions energy: -124.317
where: short stacking energy: -54.829
Base-Backbone interact. energy: -0.049
local terms energy: -69.390038
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -105.966310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.966310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.966310 (E_RNA)
where:
Base-Base interactions energy: -49.594
where: short stacking energy: -31.160
Base-Backbone interact. energy: -0.345
local terms energy: -56.027936
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: 1.345
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: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -361.698948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.698948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.698948 (E_RNA)
where:
Base-Base interactions energy: -241.596
where: short stacking energy: -112.179
Base-Backbone interact. energy: 0.699
local terms energy: -120.802338
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -25.417
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -31.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -332.245248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.245248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.245248 (E_RNA)
where:
Base-Base interactions energy: -220.219
where: short stacking energy: -100.883
Base-Backbone interact. energy: -1.438
local terms energy: -110.588323
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -24.378
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -27.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -283.002932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.002932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.002932 (E_RNA)
where:
Base-Base interactions energy: -175.551
where: short stacking energy: -87.864
Base-Backbone interact. energy: -0.135
local terms energy: -107.317140
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -26.887
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -280.175423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.175423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.175423 (E_RNA)
where:
Base-Base interactions energy: -175.248
where: short stacking energy: -80.811
Base-Backbone interact. energy: 1.089
local terms energy: -106.016586
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -24.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -262.724446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.724446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.724446 (E_RNA)
where:
Base-Base interactions energy: -169.673
where: short stacking energy: -81.283
Base-Backbone interact. energy: -0.041
local terms energy: -93.011059
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -235.518784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.518784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.518784 (E_RNA)
where:
Base-Base interactions energy: -146.790
where: short stacking energy: -61.278
Base-Backbone interact. energy: -0.080
local terms energy: -88.648870
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -20.865
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -15.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -248.866682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.866682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.866682 (E_RNA)
where:
Base-Base interactions energy: -150.581
where: short stacking energy: -64.481
Base-Backbone interact. energy: -0.863
local terms energy: -97.423306
where:
bonds (distance) C4'-P energy: -21.325
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -25.935
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -234.697278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.697278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.697278 (E_RNA)
where:
Base-Base interactions energy: -154.261
where: short stacking energy: -68.342
Base-Backbone interact. energy: 1.266
local terms energy: -81.701935
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -25.102
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -228.869048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.869048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.869048 (E_RNA)
where:
Base-Base interactions energy: -139.233
where: short stacking energy: -68.633
Base-Backbone interact. energy: -0.173
local terms energy: -89.463042
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -13.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -103.923632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.923632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.923632 (E_RNA)
where:
Base-Base interactions energy: -35.585
where: short stacking energy: -27.325
Base-Backbone interact. energy: -0.076
local terms energy: -68.262926
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -342.174887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.174887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.174887 (E_RNA)
where:
Base-Base interactions energy: -237.971
where: short stacking energy: -99.945
Base-Backbone interact. energy: -0.507
local terms energy: -103.696722
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: -22.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -350.491907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.491907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.491907 (E_RNA)
where:
Base-Base interactions energy: -233.550
where: short stacking energy: -102.384
Base-Backbone interact. energy: -0.037
local terms energy: -116.904283
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -18.185
tors. eta vs tors. theta energy: -30.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -299.381549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.381549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.381549 (E_RNA)
where:
Base-Base interactions energy: -193.565
where: short stacking energy: -78.619
Base-Backbone interact. energy: -0.207
local terms energy: -105.609189
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -25.096
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -19.755
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: 10
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -294.368063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.368063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.368063 (E_RNA)
where:
Base-Base interactions energy: -187.325
where: short stacking energy: -92.688
Base-Backbone interact. energy: -0.123
local terms energy: -106.920427
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -25.762
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -26.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -270.668150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.668150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.668150 (E_RNA)
where:
Base-Base interactions energy: -167.815
where: short stacking energy: -78.946
Base-Backbone interact. energy: -0.131
local terms energy: -102.723074
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -24.308
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -23.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -261.456295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.456295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.456295 (E_RNA)
where:
Base-Base interactions energy: -165.184
where: short stacking energy: -78.980
Base-Backbone interact. energy: 0.257
local terms energy: -96.529168
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -23.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -255.862211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.862211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.862211 (E_RNA)
where:
Base-Base interactions energy: -168.555
where: short stacking energy: -67.675
Base-Backbone interact. energy: 0.908
local terms energy: -88.215117
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -227.519438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.519438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.519438 (E_RNA)
where:
Base-Base interactions energy: -133.564
where: short stacking energy: -74.335
Base-Backbone interact. energy: -0.033
local terms energy: -93.922669
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -24.278
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -19.286
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: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -235.986378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.986378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.986378 (E_RNA)
where:
Base-Base interactions energy: -149.445
where: short stacking energy: -63.061
Base-Backbone interact. energy: -0.165
local terms energy: -86.376323
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -121.241177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.241177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.241177 (E_RNA)
where:
Base-Base interactions energy: -47.021
where: short stacking energy: -33.936
Base-Backbone interact. energy: 1.163
local terms energy: -75.382815
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -349.152868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.152868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.152868 (E_RNA)
where:
Base-Base interactions energy: -225.415
where: short stacking energy: -99.523
Base-Backbone interact. energy: -1.694
local terms energy: -122.042982
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -20.550
tors. eta vs tors. theta energy: -28.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -349.144319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.144319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.144319 (E_RNA)
where:
Base-Base interactions energy: -236.425
where: short stacking energy: -102.536
Base-Backbone interact. energy: -0.060
local terms energy: -112.658900
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -32.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -287.298014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.298014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.298014 (E_RNA)
where:
Base-Base interactions energy: -178.867
where: short stacking energy: -90.215
Base-Backbone interact. energy: 0.132
local terms energy: -108.562836
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -22.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -296.932805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.932805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.932805 (E_RNA)
where:
Base-Base interactions energy: -200.404
where: short stacking energy: -87.777
Base-Backbone interact. energy: -0.239
local terms energy: -96.289272
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -23.848
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: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -289.617230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.617230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.617230 (E_RNA)
where:
Base-Base interactions energy: -193.871
where: short stacking energy: -89.263
Base-Backbone interact. energy: -0.154
local terms energy: -95.592502
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -255.547247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.547247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.547247 (E_RNA)
where:
Base-Base interactions energy: -160.092
where: short stacking energy: -76.288
Base-Backbone interact. energy: -0.198
local terms energy: -95.257408
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -22.073
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: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -218.197516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.197516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.197516 (E_RNA)
where:
Base-Base interactions energy: -138.164
where: short stacking energy: -64.040
Base-Backbone interact. energy: -0.676
local terms energy: -79.357610
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -21.878
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -250.932257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.932257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.932257 (E_RNA)
where:
Base-Base interactions energy: -160.493
where: short stacking energy: -80.605
Base-Backbone interact. energy: -0.142
local terms energy: -90.297838
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -241.230010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.230010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.230010 (E_RNA)
where:
Base-Base interactions energy: -151.099
where: short stacking energy: -71.376
Base-Backbone interact. energy: -0.133
local terms energy: -89.998240
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -121.243918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.243918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.243918 (E_RNA)
where:
Base-Base interactions energy: -41.081
where: short stacking energy: -39.812
Base-Backbone interact. energy: 0.896
local terms energy: -81.059224
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -351.358240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.358240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.358240 (E_RNA)
where:
Base-Base interactions energy: -233.368
where: short stacking energy: -94.794
Base-Backbone interact. energy: -0.069
local terms energy: -117.921461
where:
bonds (distance) C4'-P energy: -26.250
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -24.697
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -32.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -340.380962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.380962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.380962 (E_RNA)
where:
Base-Base interactions energy: -234.273
where: short stacking energy: -90.876
Base-Backbone interact. energy: -1.276
local terms energy: -104.831851
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -25.467
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -282.748764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.748764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.748764 (E_RNA)
where:
Base-Base interactions energy: -185.843
where: short stacking energy: -91.768
Base-Backbone interact. energy: 7.057
local terms energy: -103.962942
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -24.555
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -298.729136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.729136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.729136 (E_RNA)
where:
Base-Base interactions energy: -183.946
where: short stacking energy: -89.335
Base-Backbone interact. energy: -0.100
local terms energy: -114.683003
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -26.151
flat angles P-C4'-P energy: -20.884
tors. eta vs tors. theta energy: -22.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -271.836531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.836531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.836531 (E_RNA)
where:
Base-Base interactions energy: -177.133
where: short stacking energy: -74.359
Base-Backbone interact. energy: -0.230
local terms energy: -94.473468
where:
bonds (distance) C4'-P energy: -26.184
bonds (distance) P-C4' energy: -26.670
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -14.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -266.012558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.012558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.012558 (E_RNA)
where:
Base-Base interactions energy: -176.194
where: short stacking energy: -83.251
Base-Backbone interact. energy: -0.226
local terms energy: -89.591929
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -248.539204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.539204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.539204 (E_RNA)
where:
Base-Base interactions energy: -158.376
where: short stacking energy: -59.148
Base-Backbone interact. energy: -0.173
local terms energy: -89.989686
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -247.423134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.423134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.423134 (E_RNA)
where:
Base-Base interactions energy: -157.981
where: short stacking energy: -71.021
Base-Backbone interact. energy: -0.110
local terms energy: -89.332110
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -215.790341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.790341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.790341 (E_RNA)
where:
Base-Base interactions energy: -139.922
where: short stacking energy: -54.406
Base-Backbone interact. energy: 0.850
local terms energy: -76.717769
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -6.381
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: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -114.423300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.423300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.423300 (E_RNA)
where:
Base-Base interactions energy: -50.284
where: short stacking energy: -37.640
Base-Backbone interact. energy: 2.563
local terms energy: -66.702300
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -357.263636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.263636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.263636 (E_RNA)
where:
Base-Base interactions energy: -240.376
where: short stacking energy: -103.390
Base-Backbone interact. energy: -0.866
local terms energy: -116.020891
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -24.742
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -30.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -279.754265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.754265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.754265 (E_RNA)
where:
Base-Base interactions energy: -181.491
where: short stacking energy: -87.046
Base-Backbone interact. energy: 0.658
local terms energy: -98.921169
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -348.676779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.676779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.676779 (E_RNA)
where:
Base-Base interactions energy: -244.018
where: short stacking energy: -91.316
Base-Backbone interact. energy: -1.298
local terms energy: -103.361161
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -19.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -308.144667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.144667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.144667 (E_RNA)
where:
Base-Base interactions energy: -193.270
where: short stacking energy: -92.274
Base-Backbone interact. energy: 0.107
local terms energy: -114.981372
where:
bonds (distance) C4'-P energy: -25.787
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -27.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -275.429230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.429230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.429230 (E_RNA)
where:
Base-Base interactions energy: -178.500
where: short stacking energy: -88.124
Base-Backbone interact. energy: -0.053
local terms energy: -96.876769
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -22.758
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: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -253.470166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.470166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.470166 (E_RNA)
where:
Base-Base interactions energy: -163.655
where: short stacking energy: -75.009
Base-Backbone interact. energy: -0.271
local terms energy: -89.545035
where:
bonds (distance) C4'-P energy: -23.750
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -260.280631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.280631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.280631 (E_RNA)
where:
Base-Base interactions energy: -159.284
where: short stacking energy: -82.811
Base-Backbone interact. energy: 0.767
local terms energy: -101.764317
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -26.791
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -208.204254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.204254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.204254 (E_RNA)
where:
Base-Base interactions energy: -139.148
where: short stacking energy: -62.157
Base-Backbone interact. energy: -0.460
local terms energy: -68.596054
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -231.951217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.951217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.951217 (E_RNA)
where:
Base-Base interactions energy: -161.264
where: short stacking energy: -74.328
Base-Backbone interact. energy: -0.218
local terms energy: -70.469553
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -105.037248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.037248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.037248 (E_RNA)
where:
Base-Base interactions energy: -43.410
where: short stacking energy: -35.122
Base-Backbone interact. energy: -0.999
local terms energy: -60.628399
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: 5.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -352.578557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.578557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.578557 (E_RNA)
where:
Base-Base interactions energy: -243.342
where: short stacking energy: -96.110
Base-Backbone interact. energy: -0.024
local terms energy: -109.212901
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -30.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -298.992047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.992047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.992047 (E_RNA)
where:
Base-Base interactions energy: -187.861
where: short stacking energy: -81.009
Base-Backbone interact. energy: -0.377
local terms energy: -110.754511
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -26.817
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -23.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -343.796055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.796055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.796055 (E_RNA)
where:
Base-Base interactions energy: -243.034
where: short stacking energy: -86.782
Base-Backbone interact. energy: -0.352
local terms energy: -100.409707
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -22.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -286.177609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.177609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.177609 (E_RNA)
where:
Base-Base interactions energy: -182.385
where: short stacking energy: -80.712
Base-Backbone interact. energy: -0.355
local terms energy: -103.437109
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -26.244
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -20.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -262.654065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.654065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.654065 (E_RNA)
where:
Base-Base interactions energy: -170.782
where: short stacking energy: -81.452
Base-Backbone interact. energy: -0.806
local terms energy: -91.066417
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -24.639
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -264.677250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.677250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.677250 (E_RNA)
where:
Base-Base interactions energy: -163.621
where: short stacking energy: -62.271
Base-Backbone interact. energy: -1.172
local terms energy: -99.883412
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -25.060
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -258.987689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.987689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.987689 (E_RNA)
where:
Base-Base interactions energy: -155.475
where: short stacking energy: -78.011
Base-Backbone interact. energy: 1.309
local terms energy: -104.820761
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -22.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -233.861069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.861069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.861069 (E_RNA)
where:
Base-Base interactions energy: -142.196
where: short stacking energy: -62.715
Base-Backbone interact. energy: -0.015
local terms energy: -91.649556
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -25.038
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -117.898734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.898734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.898734 (E_RNA)
where:
Base-Base interactions energy: -44.838
where: short stacking energy: -36.297
Base-Backbone interact. energy: -0.214
local terms energy: -72.846702
where:
bonds (distance) C4'-P energy: -24.607
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -177.024065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.024065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.024065 (E_RNA)
where:
Base-Base interactions energy: -98.536
where: short stacking energy: -49.372
Base-Backbone interact. energy: 2.891
local terms energy: -81.378354
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: -4.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -347.744017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.744017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.744017 (E_RNA)
where:
Base-Base interactions energy: -228.472
where: short stacking energy: -102.687
Base-Backbone interact. energy: -0.105
local terms energy: -119.167236
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -31.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -338.779273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.779273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.779273 (E_RNA)
where:
Base-Base interactions energy: -233.579
where: short stacking energy: -92.860
Base-Backbone interact. energy: -0.420
local terms energy: -104.780019
where:
bonds (distance) C4'-P energy: -24.867
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -300.455199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.455199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.455199 (E_RNA)
where:
Base-Base interactions energy: -198.732
where: short stacking energy: -94.499
Base-Backbone interact. energy: 1.241
local terms energy: -102.963399
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -23.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -292.276215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.276215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.276215 (E_RNA)
where:
Base-Base interactions energy: -184.838
where: short stacking energy: -91.457
Base-Backbone interact. energy: -0.803
local terms energy: -106.634301
where:
bonds (distance) C4'-P energy: -22.871
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -25.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -292.477749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.477749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.477749 (E_RNA)
where:
Base-Base interactions energy: -185.044
where: short stacking energy: -81.562
Base-Backbone interact. energy: -0.277
local terms energy: -107.157514
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -263.544986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.544986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.544986 (E_RNA)
where:
Base-Base interactions energy: -161.173
where: short stacking energy: -85.630
Base-Backbone interact. energy: -0.033
local terms energy: -102.339080
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -23.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -253.308293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.308293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.308293 (E_RNA)
where:
Base-Base interactions energy: -169.119
where: short stacking energy: -70.053
Base-Backbone interact. energy: -0.705
local terms energy: -83.485147
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -16.382
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: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -234.201465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.201465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.201465 (E_RNA)
where:
Base-Base interactions energy: -151.359
where: short stacking energy: -67.530
Base-Backbone interact. energy: -0.459
local terms energy: -82.383511
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -109.169903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.169903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.169903 (E_RNA)
where:
Base-Base interactions energy: -34.466
where: short stacking energy: -32.424
Base-Backbone interact. energy: 0.455
local terms energy: -75.158825
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -183.732850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.732850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.732850 (E_RNA)
where:
Base-Base interactions energy: -114.145
where: short stacking energy: -57.162
Base-Backbone interact. energy: 2.468
local terms energy: -72.055949
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -24.569
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: -9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -331.697302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.697302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.697302 (E_RNA)
where:
Base-Base interactions energy: -229.804
where: short stacking energy: -91.051
Base-Backbone interact. energy: -0.483
local terms energy: -101.409711
where:
bonds (distance) C4'-P energy: -23.627
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -337.643050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.643050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.643050 (E_RNA)
where:
Base-Base interactions energy: -227.839
where: short stacking energy: -98.907
Base-Backbone interact. energy: -0.164
local terms energy: -109.640010
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -32.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -288.054607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.054607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.054607 (E_RNA)
where:
Base-Base interactions energy: -189.070
where: short stacking energy: -91.178
Base-Backbone interact. energy: -0.310
local terms energy: -98.675427
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -23.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -289.080549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.080549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.080549 (E_RNA)
where:
Base-Base interactions energy: -190.365
where: short stacking energy: -81.777
Base-Backbone interact. energy: -0.937
local terms energy: -97.778928
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -24.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -282.617369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.617369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.617369 (E_RNA)
where:
Base-Base interactions energy: -184.529
where: short stacking energy: -82.396
Base-Backbone interact. energy: -0.260
local terms energy: -97.828107
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -263.727798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.727798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.727798 (E_RNA)
where:
Base-Base interactions energy: -161.924
where: short stacking energy: -72.385
Base-Backbone interact. energy: -0.355
local terms energy: -101.449208
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -19.964
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -278.826128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.826128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.826128 (E_RNA)
where:
Base-Base interactions energy: -197.194
where: short stacking energy: -72.992
Base-Backbone interact. energy: -2.240
local terms energy: -79.391959
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -243.075542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.075542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.075542 (E_RNA)
where:
Base-Base interactions energy: -152.919
where: short stacking energy: -67.436
Base-Backbone interact. energy: -0.156
local terms energy: -90.000809
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -24.971
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -196.371663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.371663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.371663 (E_RNA)
where:
Base-Base interactions energy: -114.361
where: short stacking energy: -54.721
Base-Backbone interact. energy: -0.159
local terms energy: -81.851339
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -109.902789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.902789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.902789 (E_RNA)
where:
Base-Base interactions energy: -33.987
where: short stacking energy: -28.895
Base-Backbone interact. energy: 0.033
local terms energy: -75.948801
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -23.136
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -336.827950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.827950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.827950 (E_RNA)
where:
Base-Base interactions energy: -225.356
where: short stacking energy: -88.007
Base-Backbone interact. energy: 0.376
local terms energy: -111.847396
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -26.140
flat angles C4'-P-C4' energy: -23.840
flat angles P-C4'-P energy: -18.911
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -336.722218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.722218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.722218 (E_RNA)
where:
Base-Base interactions energy: -221.199
where: short stacking energy: -92.404
Base-Backbone interact. energy: -0.298
local terms energy: -115.225394
where:
bonds (distance) C4'-P energy: -23.867
bonds (distance) P-C4' energy: -24.521
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -28.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -309.633444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.633444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.633444 (E_RNA)
where:
Base-Base interactions energy: -196.117
where: short stacking energy: -93.165
Base-Backbone interact. energy: -0.141
local terms energy: -113.375420
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -26.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -287.724495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.724495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.724495 (E_RNA)
where:
Base-Base interactions energy: -191.851
where: short stacking energy: -100.549
Base-Backbone interact. energy: -0.910
local terms energy: -94.963286
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -29.334
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: 325
Temperature: 1.100000
Total energy: -281.011928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.011928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.011928 (E_RNA)
where:
Base-Base interactions energy: -183.754
where: short stacking energy: -84.808
Base-Backbone interact. energy: -0.843
local terms energy: -96.415272
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -21.382
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: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -273.188539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.188539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.188539 (E_RNA)
where:
Base-Base interactions energy: -166.260
where: short stacking energy: -87.445
Base-Backbone interact. energy: -0.165
local terms energy: -106.764253
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -25.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -280.809390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.809390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.809390 (E_RNA)
where:
Base-Base interactions energy: -182.225
where: short stacking energy: -80.964
Base-Backbone interact. energy: -1.411
local terms energy: -97.173216
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -239.355894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.355894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.355894 (E_RNA)
where:
Base-Base interactions energy: -157.456
where: short stacking energy: -77.171
Base-Backbone interact. energy: -0.227
local terms energy: -81.673417
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -206.091914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.091914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.091914 (E_RNA)
where:
Base-Base interactions energy: -128.239
where: short stacking energy: -69.150
Base-Backbone interact. energy: -0.045
local terms energy: -77.808579
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -12.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -109.294865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.294865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.294865 (E_RNA)
where:
Base-Base interactions energy: -41.769
where: short stacking energy: -34.578
Base-Backbone interact. energy: -0.379
local terms energy: -67.147159
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: 1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -340.104356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.104356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.104356 (E_RNA)
where:
Base-Base interactions energy: -225.463
where: short stacking energy: -103.582
Base-Backbone interact. energy: -0.030
local terms energy: -114.611272
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -28.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -328.996141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.996141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.996141 (E_RNA)
where:
Base-Base interactions energy: -231.090
where: short stacking energy: -95.233
Base-Backbone interact. energy: 0.548
local terms energy: -98.453938
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -293.697418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.697418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.697418 (E_RNA)
where:
Base-Base interactions energy: -188.728
where: short stacking energy: -89.088
Base-Backbone interact. energy: -0.263
local terms energy: -104.706186
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -21.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -292.555490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.555490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.555490 (E_RNA)
where:
Base-Base interactions energy: -190.145
where: short stacking energy: -84.476
Base-Backbone interact. energy: -0.717
local terms energy: -101.693924
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -17.262
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: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -297.211397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.211397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.211397 (E_RNA)
where:
Base-Base interactions energy: -197.630
where: short stacking energy: -92.819
Base-Backbone interact. energy: -0.578
local terms energy: -99.002655
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -26.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -259.107641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.107641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.107641 (E_RNA)
where:
Base-Base interactions energy: -160.370
where: short stacking energy: -73.259
Base-Backbone interact. energy: 0.567
local terms energy: -99.304320
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -256.173784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.173784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.173784 (E_RNA)
where:
Base-Base interactions energy: -165.999
where: short stacking energy: -90.497
Base-Backbone interact. energy: -0.017
local terms energy: -90.158317
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -21.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -260.592035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.592035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.592035 (E_RNA)
where:
Base-Base interactions energy: -173.334
where: short stacking energy: -65.839
Base-Backbone interact. energy: -0.257
local terms energy: -87.000797
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -213.070995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.070995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.070995 (E_RNA)
where:
Base-Base interactions energy: -124.923
where: short stacking energy: -63.852
Base-Backbone interact. energy: -0.066
local terms energy: -88.082378
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -19.164
tors. eta vs tors. theta energy: -13.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -103.592531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.592531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.592531 (E_RNA)
where:
Base-Base interactions energy: -28.982
where: short stacking energy: -28.301
Base-Backbone interact. energy: -0.239
local terms energy: -74.370732
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: 2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -336.193137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.193137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.193137 (E_RNA)
where:
Base-Base interactions energy: -228.070
where: short stacking energy: -92.976
Base-Backbone interact. energy: -0.371
local terms energy: -107.752617
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -26.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -344.027252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.027252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.027252 (E_RNA)
where:
Base-Base interactions energy: -235.145
where: short stacking energy: -100.142
Base-Backbone interact. energy: -0.381
local terms energy: -108.501144
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -23.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -280.980354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.980354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.980354 (E_RNA)
where:
Base-Base interactions energy: -184.599
where: short stacking energy: -89.829
Base-Backbone interact. energy: 1.345
local terms energy: -97.725878
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -22.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -298.939190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.939190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.939190 (E_RNA)
where:
Base-Base interactions energy: -202.188
where: short stacking energy: -76.092
Base-Backbone interact. energy: -0.453
local terms energy: -96.298109
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -19.767
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -276.698738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.698738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.698738 (E_RNA)
where:
Base-Base interactions energy: -182.706
where: short stacking energy: -79.642
Base-Backbone interact. energy: -0.692
local terms energy: -93.299934
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -23.704
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -256.988042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.988042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.988042 (E_RNA)
where:
Base-Base interactions energy: -162.987
where: short stacking energy: -73.702
Base-Backbone interact. energy: -0.480
local terms energy: -93.520473
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -262.295442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.295442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.295442 (E_RNA)
where:
Base-Base interactions energy: -155.933
where: short stacking energy: -74.969
Base-Backbone interact. energy: -0.169
local terms energy: -106.193764
where:
bonds (distance) C4'-P energy: -24.073
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -23.237
flat angles P-C4'-P energy: -17.731
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -286.914780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.914780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.914780 (E_RNA)
where:
Base-Base interactions energy: -192.302
where: short stacking energy: -78.315
Base-Backbone interact. energy: -0.161
local terms energy: -94.452233
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -23.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -189.773849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.773849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.773849 (E_RNA)
where:
Base-Base interactions energy: -108.098
where: short stacking energy: -47.754
Base-Backbone interact. energy: -0.214
local terms energy: -81.461557
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -120.500514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.500514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.500514 (E_RNA)
where:
Base-Base interactions energy: -49.430
where: short stacking energy: -49.430
Base-Backbone interact. energy: -0.069
local terms energy: -71.002298
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -345.803190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.803190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.803190 (E_RNA)
where:
Base-Base interactions energy: -236.016
where: short stacking energy: -82.631
Base-Backbone interact. energy: -0.527
local terms energy: -109.260742
where:
bonds (distance) C4'-P energy: -26.404
bonds (distance) P-C4' energy: -20.053
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -20.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -337.806152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.806152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.806152 (E_RNA)
where:
Base-Base interactions energy: -229.336
where: short stacking energy: -97.886
Base-Backbone interact. energy: -0.219
local terms energy: -108.251059
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -24.035
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -30.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -313.619352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.619352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.619352 (E_RNA)
where:
Base-Base interactions energy: -211.532
where: short stacking energy: -92.156
Base-Backbone interact. energy: -1.830
local terms energy: -100.257267
where:
bonds (distance) C4'-P energy: -20.717
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -20.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -295.101234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.101234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.101234 (E_RNA)
where:
Base-Base interactions energy: -199.520
where: short stacking energy: -83.156
Base-Backbone interact. energy: -1.154
local terms energy: -94.427478
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -286.322608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.322608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.322608 (E_RNA)
where:
Base-Base interactions energy: -183.589
where: short stacking energy: -87.280
Base-Backbone interact. energy: -0.355
local terms energy: -102.378455
where:
bonds (distance) C4'-P energy: -25.634
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -24.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -258.724631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.724631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.724631 (E_RNA)
where:
Base-Base interactions energy: -166.099
where: short stacking energy: -73.722
Base-Backbone interact. energy: -0.148
local terms energy: -92.477788
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -261.642198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.642198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.642198 (E_RNA)
where:
Base-Base interactions energy: -169.029
where: short stacking energy: -73.409
Base-Backbone interact. energy: 0.367
local terms energy: -92.979532
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -14.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -266.072018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.072018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.072018 (E_RNA)
where:
Base-Base interactions energy: -178.284
where: short stacking energy: -73.033
Base-Backbone interact. energy: -0.621
local terms energy: -87.167512
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -20.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -186.151064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.151064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.151064 (E_RNA)
where:
Base-Base interactions energy: -109.052
where: short stacking energy: -49.258
Base-Backbone interact. energy: -0.261
local terms energy: -76.837701
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -8.054
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: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -107.282035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.282035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.282035 (E_RNA)
where:
Base-Base interactions energy: -42.277
where: short stacking energy: -31.791
Base-Backbone interact. energy: -0.197
local terms energy: -64.807745
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -20.001
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -356.966479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.966479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.966479 (E_RNA)
where:
Base-Base interactions energy: -251.680
where: short stacking energy: -95.473
Base-Backbone interact. energy: -0.358
local terms energy: -104.928382
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -346.228778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.228778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.228778 (E_RNA)
where:
Base-Base interactions energy: -230.441
where: short stacking energy: -97.192
Base-Backbone interact. energy: -0.188
local terms energy: -115.600402
where:
bonds (distance) C4'-P energy: -25.227
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -27.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -323.563418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.563418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.563418 (E_RNA)
where:
Base-Base interactions energy: -216.439
where: short stacking energy: -93.380
Base-Backbone interact. energy: -1.732
local terms energy: -105.392670
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -25.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -311.905630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.905630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.905630 (E_RNA)
where:
Base-Base interactions energy: -207.429
where: short stacking energy: -98.215
Base-Backbone interact. energy: -0.247
local terms energy: -104.230315
where:
bonds (distance) C4'-P energy: -25.115
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -27.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -270.190627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.190627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.190627 (E_RNA)
where:
Base-Base interactions energy: -176.948
where: short stacking energy: -70.761
Base-Backbone interact. energy: -0.472
local terms energy: -92.771087
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -254.090026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.090026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.090026 (E_RNA)
where:
Base-Base interactions energy: -170.325
where: short stacking energy: -71.054
Base-Backbone interact. energy: -0.406
local terms energy: -83.358998
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -261.696502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.696502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.696502 (E_RNA)
where:
Base-Base interactions energy: -164.029
where: short stacking energy: -72.525
Base-Backbone interact. energy: -0.201
local terms energy: -97.467083
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -243.960745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.960745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.960745 (E_RNA)
where:
Base-Base interactions energy: -160.068
where: short stacking energy: -73.452
Base-Backbone interact. energy: -0.648
local terms energy: -83.244244
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -179.669523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.669523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.669523 (E_RNA)
where:
Base-Base interactions energy: -103.544
where: short stacking energy: -33.407
Base-Backbone interact. energy: -1.044
local terms energy: -75.082369
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -116.175492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.175492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.175492 (E_RNA)
where:
Base-Base interactions energy: -39.928
where: short stacking energy: -39.506
Base-Backbone interact. energy: -0.332
local terms energy: -75.915450
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -365.336997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.336997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.336997 (E_RNA)
where:
Base-Base interactions energy: -244.424
where: short stacking energy: -115.224
Base-Backbone interact. energy: -0.001
local terms energy: -120.911762
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -36.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -350.466659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.466659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.466659 (E_RNA)
where:
Base-Base interactions energy: -238.111
where: short stacking energy: -83.322
Base-Backbone interact. energy: -0.543
local terms energy: -111.812408
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -26.039
flat angles P-C4'-P energy: -19.061
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -309.111246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.111246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.111246 (E_RNA)
where:
Base-Base interactions energy: -209.571
where: short stacking energy: -76.311
Base-Backbone interact. energy: -1.352
local terms energy: -98.188714
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -302.747103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.747103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.747103 (E_RNA)
where:
Base-Base interactions energy: -198.421
where: short stacking energy: -91.668
Base-Backbone interact. energy: -0.351
local terms energy: -103.975258
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -25.085
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: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -271.412417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.412417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.412417 (E_RNA)
where:
Base-Base interactions energy: -172.810
where: short stacking energy: -88.495
Base-Backbone interact. energy: -0.034
local terms energy: -98.567910
where:
bonds (distance) C4'-P energy: -23.780
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -22.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -267.796034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.796034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.796034 (E_RNA)
where:
Base-Base interactions energy: -168.518
where: short stacking energy: -92.646
Base-Backbone interact. energy: -0.029
local terms energy: -99.249099
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -23.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -251.107613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.107613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.107613 (E_RNA)
where:
Base-Base interactions energy: -161.689
where: short stacking energy: -71.667
Base-Backbone interact. energy: -0.251
local terms energy: -89.167723
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -254.028430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.028430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.028430 (E_RNA)
where:
Base-Base interactions energy: -157.772
where: short stacking energy: -70.959
Base-Backbone interact. energy: 0.048
local terms energy: -96.304670
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -22.856
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -223.252400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.252400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.252400 (E_RNA)
where:
Base-Base interactions energy: -135.179
where: short stacking energy: -64.803
Base-Backbone interact. energy: -0.882
local terms energy: -87.191693
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -112.269648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.269648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.269648 (E_RNA)
where:
Base-Base interactions energy: -43.459
where: short stacking energy: -43.151
Base-Backbone interact. energy: -1.064
local terms energy: -67.747280
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -364.311210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.311210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.311210 (E_RNA)
where:
Base-Base interactions energy: -244.767
where: short stacking energy: -111.856
Base-Backbone interact. energy: -0.010
local terms energy: -119.534904
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -37.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -352.684473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.684473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.684473 (E_RNA)
where:
Base-Base interactions energy: -247.122
where: short stacking energy: -82.278
Base-Backbone interact. energy: -0.774
local terms energy: -104.788626
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -25.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -304.703163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.703163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.703163 (E_RNA)
where:
Base-Base interactions energy: -205.501
where: short stacking energy: -82.033
Base-Backbone interact. energy: -0.382
local terms energy: -98.819593
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -302.546617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.546617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.546617 (E_RNA)
where:
Base-Base interactions energy: -198.960
where: short stacking energy: -91.766
Base-Backbone interact. energy: -0.058
local terms energy: -103.528569
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -25.024
flat angles C4'-P-C4' energy: -24.817
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -23.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -280.316670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.316670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.316670 (E_RNA)
where:
Base-Base interactions energy: -184.889
where: short stacking energy: -79.605
Base-Backbone interact. energy: -0.318
local terms energy: -95.109949
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -20.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -249.819662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.819662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.819662 (E_RNA)
where:
Base-Base interactions energy: -157.333
where: short stacking energy: -66.178
Base-Backbone interact. energy: 0.939
local terms energy: -93.426049
where:
bonds (distance) C4'-P energy: -22.961
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -251.087115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.087115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.087115 (E_RNA)
where:
Base-Base interactions energy: -160.404
where: short stacking energy: -76.497
Base-Backbone interact. energy: 2.191
local terms energy: -92.874879
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -22.899
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -242.010315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.010315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.010315 (E_RNA)
where:
Base-Base interactions energy: -152.808
where: short stacking energy: -69.527
Base-Backbone interact. energy: 0.237
local terms energy: -89.439153
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -23.597
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -217.685252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.685252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.685252 (E_RNA)
where:
Base-Base interactions energy: -138.796
where: short stacking energy: -64.977
Base-Backbone interact. energy: -0.043
local terms energy: -78.847121
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -18.479
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: 10, replica: 2
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -123.637378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.637378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.637378 (E_RNA)
where:
Base-Base interactions energy: -56.194
where: short stacking energy: -48.467
Base-Backbone interact. energy: -0.224
local terms energy: -67.218972
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -21.860
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -10.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -361.489511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.489511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.489511 (E_RNA)
where:
Base-Base interactions energy: -241.691
where: short stacking energy: -94.053
Base-Backbone interact. energy: -1.449
local terms energy: -118.350009
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -26.161
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -28.005
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: 332
Temperature: 0.950000
Total energy: -362.724643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.724643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.724643 (E_RNA)
where:
Base-Base interactions energy: -245.386
where: short stacking energy: -110.317
Base-Backbone interact. energy: -0.419
local terms energy: -116.919808
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -24.130
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -33.432
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: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -310.242651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.242651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.242651 (E_RNA)
where:
Base-Base interactions energy: -207.986
where: short stacking energy: -93.811
Base-Backbone interact. energy: 0.029
local terms energy: -102.285650
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -23.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -293.609368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.609368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.609368 (E_RNA)
where:
Base-Base interactions energy: -187.665
where: short stacking energy: -71.541
Base-Backbone interact. energy: -0.809
local terms energy: -105.135263
where:
bonds (distance) C4'-P energy: -24.867
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -284.229824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.229824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.229824 (E_RNA)
where:
Base-Base interactions energy: -185.354
where: short stacking energy: -89.690
Base-Backbone interact. energy: 0.581
local terms energy: -99.456705
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -268.836762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.836762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.836762 (E_RNA)
where:
Base-Base interactions energy: -179.715
where: short stacking energy: -76.599
Base-Backbone interact. energy: -0.424
local terms energy: -88.697495
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -14.826
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: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -254.616288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.616288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.616288 (E_RNA)
where:
Base-Base interactions energy: -170.919
where: short stacking energy: -78.800
Base-Backbone interact. energy: -0.166
local terms energy: -83.531493
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -224.160638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.160638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.160638 (E_RNA)
where:
Base-Base interactions energy: -146.968
where: short stacking energy: -59.274
Base-Backbone interact. energy: -0.249
local terms energy: -76.942975
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -9.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -175.234572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.234572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.234572 (E_RNA)
where:
Base-Base interactions energy: -99.677
where: short stacking energy: -46.199
Base-Backbone interact. energy: 1.748
local terms energy: -77.305729
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -26.436
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -234.069353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.069353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.069353 (E_RNA)
where:
Base-Base interactions energy: -163.987
where: short stacking energy: -73.500
Base-Backbone interact. energy: 3.403
local terms energy: -73.485135
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -3.342
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -364.855433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.855433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.855433 (E_RNA)
where:
Base-Base interactions energy: -245.769
where: short stacking energy: -97.493
Base-Backbone interact. energy: -0.621
local terms energy: -118.464798
where:
bonds (distance) C4'-P energy: -27.008
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -30.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -357.523052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.523052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.523052 (E_RNA)
where:
Base-Base interactions energy: -241.961
where: short stacking energy: -101.843
Base-Backbone interact. energy: -0.097
local terms energy: -115.464413
where:
bonds (distance) C4'-P energy: -22.573
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -29.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -327.730901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.730901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.730901 (E_RNA)
where:
Base-Base interactions energy: -219.647
where: short stacking energy: -101.698
Base-Backbone interact. energy: -0.148
local terms energy: -107.935767
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -27.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -284.293136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.293136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.293136 (E_RNA)
where:
Base-Base interactions energy: -186.598
where: short stacking energy: -85.614
Base-Backbone interact. energy: -1.804
local terms energy: -95.890666
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -23.962
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: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -275.578476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.578476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.578476 (E_RNA)
where:
Base-Base interactions energy: -186.066
where: short stacking energy: -88.123
Base-Backbone interact. energy: -0.087
local terms energy: -89.425497
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -24.859
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -263.084229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.084229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.084229 (E_RNA)
where:
Base-Base interactions energy: -169.726
where: short stacking energy: -74.495
Base-Backbone interact. energy: 3.253
local terms energy: -96.610834
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -18.234
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -249.122943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.122943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.122943 (E_RNA)
where:
Base-Base interactions energy: -159.823
where: short stacking energy: -74.874
Base-Backbone interact. energy: 0.561
local terms energy: -89.860341
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -212.283612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.283612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.283612 (E_RNA)
where:
Base-Base interactions energy: -131.740
where: short stacking energy: -70.343
Base-Backbone interact. energy: -0.714
local terms energy: -79.830294
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -214.015433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.015433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.015433 (E_RNA)
where:
Base-Base interactions energy: -134.847
where: short stacking energy: -67.378
Base-Backbone interact. energy: 0.412
local terms energy: -79.580812
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -12.387
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: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -227.542887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.542887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.542887 (E_RNA)
where:
Base-Base interactions energy: -146.922
where: short stacking energy: -64.870
Base-Backbone interact. energy: 2.418
local terms energy: -83.038139
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -12.305
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: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -358.451709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.451709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.451709 (E_RNA)
where:
Base-Base interactions energy: -232.746
where: short stacking energy: -99.926
Base-Backbone interact. energy: -0.103
local terms energy: -125.603025
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -20.176
tors. eta vs tors. theta energy: -31.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -351.978614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.978614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.978614 (E_RNA)
where:
Base-Base interactions energy: -249.618
where: short stacking energy: -101.544
Base-Backbone interact. energy: -0.639
local terms energy: -101.721789
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -22.824
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -27.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -317.339687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.339687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.339687 (E_RNA)
where:
Base-Base interactions energy: -214.982
where: short stacking energy: -96.974
Base-Backbone interact. energy: -0.169
local terms energy: -102.188761
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -22.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -285.249799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.249799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.249799 (E_RNA)
where:
Base-Base interactions energy: -181.696
where: short stacking energy: -82.099
Base-Backbone interact. energy: -0.249
local terms energy: -103.304808
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -25.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -278.235574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.235574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.235574 (E_RNA)
where:
Base-Base interactions energy: -174.109
where: short stacking energy: -89.645
Base-Backbone interact. energy: -0.345
local terms energy: -103.781300
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -23.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -272.207712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.207712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.207712 (E_RNA)
where:
Base-Base interactions energy: -172.719
where: short stacking energy: -72.682
Base-Backbone interact. energy: -0.800
local terms energy: -98.688723
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -261.522468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.522468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.522468 (E_RNA)
where:
Base-Base interactions energy: -172.498
where: short stacking energy: -81.994
Base-Backbone interact. energy: -0.308
local terms energy: -88.716132
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -232.241881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.241881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.241881 (E_RNA)
where:
Base-Base interactions energy: -153.784
where: short stacking energy: -64.877
Base-Backbone interact. energy: -0.057
local terms energy: -78.400440
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -227.553729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.553729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.553729 (E_RNA)
where:
Base-Base interactions energy: -130.814
where: short stacking energy: -66.162
Base-Backbone interact. energy: -0.197
local terms energy: -96.541963
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -172.738078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.738078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.738078 (E_RNA)
where:
Base-Base interactions energy: -107.469
where: short stacking energy: -47.282
Base-Backbone interact. energy: -0.439
local terms energy: -64.829261
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -12.755
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: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -364.358310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.358310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.358310 (E_RNA)
where:
Base-Base interactions energy: -244.716
where: short stacking energy: -107.628
Base-Backbone interact. energy: -0.053
local terms energy: -119.589473
where:
bonds (distance) C4'-P energy: -19.588
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -26.791
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -34.007
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: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -351.534688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.534688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.534688 (E_RNA)
where:
Base-Base interactions energy: -236.712
where: short stacking energy: -94.644
Base-Backbone interact. energy: -1.224
local terms energy: -113.598952
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -26.562
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -29.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -311.825056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.825056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.825056 (E_RNA)
where:
Base-Base interactions energy: -208.605
where: short stacking energy: -97.202
Base-Backbone interact. energy: -0.775
local terms energy: -102.444956
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -283.941389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.941389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.941389 (E_RNA)
where:
Base-Base interactions energy: -179.670
where: short stacking energy: -86.545
Base-Backbone interact. energy: -0.055
local terms energy: -104.216078
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -15.489
tors. eta vs tors. theta energy: -25.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -266.919299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.919299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.919299 (E_RNA)
where:
Base-Base interactions energy: -177.879
where: short stacking energy: -76.801
Base-Backbone interact. energy: -1.287
local terms energy: -87.753416
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -280.663850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.663850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.663850 (E_RNA)
where:
Base-Base interactions energy: -171.410
where: short stacking energy: -88.507
Base-Backbone interact. energy: -0.046
local terms energy: -109.207393
where:
bonds (distance) C4'-P energy: -24.236
bonds (distance) P-C4' energy: -25.037
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -22.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -248.254616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.254616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.254616 (E_RNA)
where:
Base-Base interactions energy: -146.285
where: short stacking energy: -66.070
Base-Backbone interact. energy: -0.190
local terms energy: -101.779442
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -26.507
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -13.042
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: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -239.011796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.011796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.011796 (E_RNA)
where:
Base-Base interactions energy: -158.207
where: short stacking energy: -73.634
Base-Backbone interact. energy: -0.141
local terms energy: -80.663753
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -214.351011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.351011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.351011 (E_RNA)
where:
Base-Base interactions energy: -132.264
where: short stacking energy: -53.999
Base-Backbone interact. energy: -0.517
local terms energy: -81.570605
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -201.500241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.500241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.500241 (E_RNA)
where:
Base-Base interactions energy: -124.643
where: short stacking energy: -63.092
Base-Backbone interact. energy: -0.041
local terms energy: -76.816208
where:
bonds (distance) C4'-P energy: -20.272
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -9.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -367.575177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.575177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.575177 (E_RNA)
where:
Base-Base interactions energy: -252.726
where: short stacking energy: -111.215
Base-Backbone interact. energy: -0.244
local terms energy: -114.604784
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -32.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -350.796076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.796076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.796076 (E_RNA)
where:
Base-Base interactions energy: -232.706
where: short stacking energy: -85.796
Base-Backbone interact. energy: -1.130
local terms energy: -116.960258
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: -25.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -300.057079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.057079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.057079 (E_RNA)
where:
Base-Base interactions energy: -197.473
where: short stacking energy: -99.409
Base-Backbone interact. energy: 0.851
local terms energy: -103.435356
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -23.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -323.092895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.092895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.092895 (E_RNA)
where:
Base-Base interactions energy: -221.329
where: short stacking energy: -101.798
Base-Backbone interact. energy: -0.470
local terms energy: -101.294738
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -22.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -265.322658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.322658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.322658 (E_RNA)
where:
Base-Base interactions energy: -166.147
where: short stacking energy: -64.851
Base-Backbone interact. energy: -0.541
local terms energy: -98.634188
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -261.836971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.836971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.836971 (E_RNA)
where:
Base-Base interactions energy: -166.995
where: short stacking energy: -91.062
Base-Backbone interact. energy: -0.242
local terms energy: -94.600005
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -253.507823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.507823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.507823 (E_RNA)
where:
Base-Base interactions energy: -162.630
where: short stacking energy: -68.174
Base-Backbone interact. energy: -0.662
local terms energy: -90.215028
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -13.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -244.214035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.214035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.214035 (E_RNA)
where:
Base-Base interactions energy: -151.973
where: short stacking energy: -69.874
Base-Backbone interact. energy: -0.429
local terms energy: -91.812620
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -211.065842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.065842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.065842 (E_RNA)
where:
Base-Base interactions energy: -120.734
where: short stacking energy: -51.272
Base-Backbone interact. energy: -0.788
local terms energy: -89.543832
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -196.669431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.669431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.669431 (E_RNA)
where:
Base-Base interactions energy: -114.309
where: short stacking energy: -50.098
Base-Backbone interact. energy: 0.642
local terms energy: -83.001778
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -23.537
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -10.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -368.072942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.072942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.072942 (E_RNA)
where:
Base-Base interactions energy: -244.282
where: short stacking energy: -106.019
Base-Backbone interact. energy: -0.049
local terms energy: -123.742537
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -26.862
flat angles C4'-P-C4' energy: -25.073
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -32.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -350.043067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.043067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.043067 (E_RNA)
where:
Base-Base interactions energy: -222.440
where: short stacking energy: -106.414
Base-Backbone interact. energy: -1.742
local terms energy: -125.861261
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -33.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -292.790249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.790249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.790249 (E_RNA)
where:
Base-Base interactions energy: -186.218
where: short stacking energy: -93.881
Base-Backbone interact. energy: -0.090
local terms energy: -106.481740
where:
bonds (distance) C4'-P energy: -21.494
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -19.555
tors. eta vs tors. theta energy: -22.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -271.916974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.916974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.916974 (E_RNA)
where:
Base-Base interactions energy: -170.202
where: short stacking energy: -82.802
Base-Backbone interact. energy: -0.056
local terms energy: -101.659608
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -22.769
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -287.856866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.856866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.856866 (E_RNA)
where:
Base-Base interactions energy: -186.103
where: short stacking energy: -71.987
Base-Backbone interact. energy: -0.561
local terms energy: -101.192722
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -24.544
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -267.314953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.314953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.314953 (E_RNA)
where:
Base-Base interactions energy: -170.615
where: short stacking energy: -80.578
Base-Backbone interact. energy: -0.432
local terms energy: -96.268188
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -22.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -245.873232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.873232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.873232 (E_RNA)
where:
Base-Base interactions energy: -155.162
where: short stacking energy: -57.187
Base-Backbone interact. energy: -0.865
local terms energy: -89.846131
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -217.922946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.922946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.922946 (E_RNA)
where:
Base-Base interactions energy: -142.267
where: short stacking energy: -49.434
Base-Backbone interact. energy: -0.988
local terms energy: -74.667726
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -4.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -207.327256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.327256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.327256 (E_RNA)
where:
Base-Base interactions energy: -122.424
where: short stacking energy: -50.266
Base-Backbone interact. energy: 0.328
local terms energy: -85.231090
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -232.950850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.950850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.950850 (E_RNA)
where:
Base-Base interactions energy: -159.926
where: short stacking energy: -56.182
Base-Backbone interact. energy: -0.574
local terms energy: -72.450394
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -362.927611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.927611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.927611 (E_RNA)
where:
Base-Base interactions energy: -244.674
where: short stacking energy: -110.473
Base-Backbone interact. energy: -0.400
local terms energy: -117.853776
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -24.865
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -32.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -339.067465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.067465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.067465 (E_RNA)
where:
Base-Base interactions energy: -227.262
where: short stacking energy: -102.097
Base-Backbone interact. energy: -0.338
local terms energy: -111.467619
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -29.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -296.634990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.634990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.634990 (E_RNA)
where:
Base-Base interactions energy: -184.852
where: short stacking energy: -93.787
Base-Backbone interact. energy: -0.125
local terms energy: -111.658117
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -28.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -299.595992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.595992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.595992 (E_RNA)
where:
Base-Base interactions energy: -192.315
where: short stacking energy: -87.736
Base-Backbone interact. energy: -0.190
local terms energy: -107.090835
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -290.756584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.756584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.756584 (E_RNA)
where:
Base-Base interactions energy: -193.981
where: short stacking energy: -83.681
Base-Backbone interact. energy: -0.741
local terms energy: -96.035080
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -276.932012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.932012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.932012 (E_RNA)
where:
Base-Base interactions energy: -192.037
where: short stacking energy: -67.307
Base-Backbone interact. energy: -0.861
local terms energy: -84.033929
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -254.541640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.541640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.541640 (E_RNA)
where:
Base-Base interactions energy: -154.810
where: short stacking energy: -78.646
Base-Backbone interact. energy: -0.165
local terms energy: -99.566663
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -20.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -245.691909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.691909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.691909 (E_RNA)
where:
Base-Base interactions energy: -158.913
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.342
local terms energy: -86.436595
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -25.488
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -223.686798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.686798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.686798 (E_RNA)
where:
Base-Base interactions energy: -139.050
where: short stacking energy: -51.093
Base-Backbone interact. energy: -0.151
local terms energy: -84.486081
where:
bonds (distance) C4'-P energy: -21.556
bonds (distance) P-C4' energy: -21.329
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -234.043274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.043274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.043274 (E_RNA)
where:
Base-Base interactions energy: -153.405
where: short stacking energy: -72.834
Base-Backbone interact. energy: 0.870
local terms energy: -81.508052
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -16.012
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: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -369.379532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.379532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.379532 (E_RNA)
where:
Base-Base interactions energy: -251.171
where: short stacking energy: -103.044
Base-Backbone interact. energy: -0.453
local terms energy: -117.755664
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -25.973
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -35.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -333.485427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.485427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.485427 (E_RNA)
where:
Base-Base interactions energy: -219.195
where: short stacking energy: -101.860
Base-Backbone interact. energy: -0.255
local terms energy: -114.034896
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -29.283
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: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -290.888665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.888665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.888665 (E_RNA)
where:
Base-Base interactions energy: -178.825
where: short stacking energy: -85.459
Base-Backbone interact. energy: -0.605
local terms energy: -111.458981
where:
bonds (distance) C4'-P energy: -24.942
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -23.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -289.306521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.306521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.306521 (E_RNA)
where:
Base-Base interactions energy: -188.397
where: short stacking energy: -100.265
Base-Backbone interact. energy: -0.349
local terms energy: -100.560458
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -27.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -291.846479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.846479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.846479 (E_RNA)
where:
Base-Base interactions energy: -184.678
where: short stacking energy: -84.395
Base-Backbone interact. energy: -0.677
local terms energy: -106.491544
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -21.431
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -23.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -270.374917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.374917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.374917 (E_RNA)
where:
Base-Base interactions energy: -172.090
where: short stacking energy: -75.088
Base-Backbone interact. energy: 0.056
local terms energy: -98.341112
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -224.456488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.456488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.456488 (E_RNA)
where:
Base-Base interactions energy: -131.671
where: short stacking energy: -65.518
Base-Backbone interact. energy: -0.953
local terms energy: -91.832468
where:
bonds (distance) C4'-P energy: -22.157
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -15.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -220.633787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.633787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.633787 (E_RNA)
where:
Base-Base interactions energy: -131.722
where: short stacking energy: -62.663
Base-Backbone interact. energy: -0.254
local terms energy: -88.657940
where:
bonds (distance) C4'-P energy: -21.834
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -228.806776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.806776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.806776 (E_RNA)
where:
Base-Base interactions energy: -140.058
where: short stacking energy: -63.902
Base-Backbone interact. energy: -0.428
local terms energy: -88.320419
where:
bonds (distance) C4'-P energy: -21.556
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -213.928914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.928914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.928914 (E_RNA)
where:
Base-Base interactions energy: -125.161
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.397
local terms energy: -88.371061
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -10.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -372.387961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.387961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.387961 (E_RNA)
where:
Base-Base interactions energy: -249.049
where: short stacking energy: -104.951
Base-Backbone interact. energy: -0.309
local terms energy: -123.029968
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -24.619
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -36.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -338.712419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.712419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.712419 (E_RNA)
where:
Base-Base interactions energy: -229.384
where: short stacking energy: -104.502
Base-Backbone interact. energy: 1.373
local terms energy: -110.701791
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -26.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -311.050350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.050350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.050350 (E_RNA)
where:
Base-Base interactions energy: -198.346
where: short stacking energy: -103.249
Base-Backbone interact. energy: -0.007
local terms energy: -112.697671
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -29.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -288.187771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.187771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.187771 (E_RNA)
where:
Base-Base interactions energy: -177.388
where: short stacking energy: -80.556
Base-Backbone interact. energy: -2.273
local terms energy: -108.526431
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -263.311444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.311444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.311444 (E_RNA)
where:
Base-Base interactions energy: -174.082
where: short stacking energy: -87.479
Base-Backbone interact. energy: -0.580
local terms energy: -88.649235
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -19.334
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: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -278.485221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.485221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.485221 (E_RNA)
where:
Base-Base interactions energy: -190.785
where: short stacking energy: -84.044
Base-Backbone interact. energy: -0.603
local terms energy: -87.097329
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -14.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -266.565895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.565895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.565895 (E_RNA)
where:
Base-Base interactions energy: -168.509
where: short stacking energy: -88.065
Base-Backbone interact. energy: -0.077
local terms energy: -97.980050
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -26.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -203.012507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.012507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.012507 (E_RNA)
where:
Base-Base interactions energy: -123.684
where: short stacking energy: -40.563
Base-Backbone interact. energy: -1.031
local terms energy: -78.297566
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -223.539880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.539880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.539880 (E_RNA)
where:
Base-Base interactions energy: -144.935
where: short stacking energy: -64.951
Base-Backbone interact. energy: -0.184
local terms energy: -78.420787
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -219.131869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.131869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.131869 (E_RNA)
where:
Base-Base interactions energy: -139.656
where: short stacking energy: -61.493
Base-Backbone interact. energy: -0.220
local terms energy: -79.255554
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -367.534839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.534839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.534839 (E_RNA)
where:
Base-Base interactions energy: -249.211
where: short stacking energy: -116.405
Base-Backbone interact. energy: -0.067
local terms energy: -118.256596
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -25.442
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -30.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -337.543670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.543670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.543670 (E_RNA)
where:
Base-Base interactions energy: -223.577
where: short stacking energy: -104.305
Base-Backbone interact. energy: 0.514
local terms energy: -114.480815
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -30.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -313.518266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.518266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.518266 (E_RNA)
where:
Base-Base interactions energy: -201.308
where: short stacking energy: -95.511
Base-Backbone interact. energy: -0.006
local terms energy: -112.204626
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -26.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -278.165052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.165052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.165052 (E_RNA)
where:
Base-Base interactions energy: -171.847
where: short stacking energy: -75.471
Base-Backbone interact. energy: -0.257
local terms energy: -106.061145
where:
bonds (distance) C4'-P energy: -22.723
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -25.005
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -260.592069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.592069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.592069 (E_RNA)
where:
Base-Base interactions energy: -167.878
where: short stacking energy: -74.067
Base-Backbone interact. energy: -0.244
local terms energy: -92.469543
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -264.734328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.734328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.734328 (E_RNA)
where:
Base-Base interactions energy: -171.201
where: short stacking energy: -86.279
Base-Backbone interact. energy: -0.117
local terms energy: -93.415919
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -25.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -259.202705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.202705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.202705 (E_RNA)
where:
Base-Base interactions energy: -161.156
where: short stacking energy: -75.645
Base-Backbone interact. energy: -0.337
local terms energy: -97.709289
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -253.935634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.935634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.935634 (E_RNA)
where:
Base-Base interactions energy: -162.331
where: short stacking energy: -70.991
Base-Backbone interact. energy: -0.086
local terms energy: -91.518190
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -12.774
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: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -206.357240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.357240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.357240 (E_RNA)
where:
Base-Base interactions energy: -122.941
where: short stacking energy: -54.161
Base-Backbone interact. energy: -0.057
local terms energy: -83.359274
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -28.365
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -204.198775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.198775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.198775 (E_RNA)
where:
Base-Base interactions energy: -126.150
where: short stacking energy: -51.517
Base-Backbone interact. energy: -0.065
local terms energy: -77.984170
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -9.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -374.705312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.705312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.705312 (E_RNA)
where:
Base-Base interactions energy: -251.648
where: short stacking energy: -108.815
Base-Backbone interact. energy: -0.498
local terms energy: -122.559801
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -31.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -348.934586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.934586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.934586 (E_RNA)
where:
Base-Base interactions energy: -240.190
where: short stacking energy: -110.249
Base-Backbone interact. energy: -0.135
local terms energy: -108.609406
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -29.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -301.940946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.940946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.940946 (E_RNA)
where:
Base-Base interactions energy: -189.057
where: short stacking energy: -95.427
Base-Backbone interact. energy: -0.152
local terms energy: -112.732340
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -23.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -305.626365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.626365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.626365 (E_RNA)
where:
Base-Base interactions energy: -202.763
where: short stacking energy: -92.500
Base-Backbone interact. energy: -0.225
local terms energy: -102.638091
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -23.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -270.531240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.531240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.531240 (E_RNA)
where:
Base-Base interactions energy: -177.865
where: short stacking energy: -87.756
Base-Backbone interact. energy: -0.021
local terms energy: -92.645984
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -23.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -262.807591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.807591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.807591 (E_RNA)
where:
Base-Base interactions energy: -166.137
where: short stacking energy: -78.016
Base-Backbone interact. energy: -0.812
local terms energy: -95.857663
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -257.584798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.584798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.584798 (E_RNA)
where:
Base-Base interactions energy: -171.727
where: short stacking energy: -84.338
Base-Backbone interact. energy: -0.056
local terms energy: -85.802094
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -234.044943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.044943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.044943 (E_RNA)
where:
Base-Base interactions energy: -142.187
where: short stacking energy: -67.928
Base-Backbone interact. energy: -0.164
local terms energy: -91.693928
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -232.620573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.620573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.620573 (E_RNA)
where:
Base-Base interactions energy: -149.249
where: short stacking energy: -61.858
Base-Backbone interact. energy: -0.225
local terms energy: -83.146680
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -193.516950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.516950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.516950 (E_RNA)
where:
Base-Base interactions energy: -108.418
where: short stacking energy: -49.756
Base-Backbone interact. energy: -0.541
local terms energy: -84.557664
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -9.272
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: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -366.936253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.936253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.936253 (E_RNA)
where:
Base-Base interactions energy: -242.368
where: short stacking energy: -100.645
Base-Backbone interact. energy: -0.189
local terms energy: -124.379731
where:
bonds (distance) C4'-P energy: -25.560
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -35.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -328.409952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.409952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.409952 (E_RNA)
where:
Base-Base interactions energy: -218.912
where: short stacking energy: -96.059
Base-Backbone interact. energy: -0.146
local terms energy: -109.352509
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -26.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -303.707471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.707471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.707471 (E_RNA)
where:
Base-Base interactions energy: -190.941
where: short stacking energy: -96.352
Base-Backbone interact. energy: -1.033
local terms energy: -111.734116
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -25.766
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: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -300.313084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.313084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.313084 (E_RNA)
where:
Base-Base interactions energy: -196.963
where: short stacking energy: -79.880
Base-Backbone interact. energy: -0.632
local terms energy: -102.717602
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -25.794
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -273.474931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.474931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.474931 (E_RNA)
where:
Base-Base interactions energy: -170.908
where: short stacking energy: -90.177
Base-Backbone interact. energy: -0.253
local terms energy: -102.314045
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -27.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -254.130038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.130038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.130038 (E_RNA)
where:
Base-Base interactions energy: -163.635
where: short stacking energy: -78.538
Base-Backbone interact. energy: -0.640
local terms energy: -89.855197
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -248.731229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.731229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.731229 (E_RNA)
where:
Base-Base interactions energy: -157.964
where: short stacking energy: -67.154
Base-Backbone interact. energy: -0.213
local terms energy: -90.554331
where:
bonds (distance) C4'-P energy: -23.886
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -253.688525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.688525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.688525 (E_RNA)
where:
Base-Base interactions energy: -154.216
where: short stacking energy: -65.593
Base-Backbone interact. energy: -1.498
local terms energy: -97.974460
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -24.547
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -223.448630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.448630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.448630 (E_RNA)
where:
Base-Base interactions energy: -127.804
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.373
local terms energy: -95.271988
where:
bonds (distance) C4'-P energy: -24.592
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -198.257698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.257698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.257698 (E_RNA)
where:
Base-Base interactions energy: -115.328
where: short stacking energy: -60.263
Base-Backbone interact. energy: -0.280
local terms energy: -82.650195
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -8.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -373.816625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.816625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.816625 (E_RNA)
where:
Base-Base interactions energy: -254.863
where: short stacking energy: -110.527
Base-Backbone interact. energy: -0.018
local terms energy: -118.935708
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -27.716
flat angles C4'-P-C4' energy: -27.515
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -33.297
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: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -344.283596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.283596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.283596 (E_RNA)
where:
Base-Base interactions energy: -229.014
where: short stacking energy: -99.665
Base-Backbone interact. energy: -0.785
local terms energy: -114.485122
where:
bonds (distance) C4'-P energy: -25.513
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -24.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -288.899249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.899249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.899249 (E_RNA)
where:
Base-Base interactions energy: -183.082
where: short stacking energy: -90.150
Base-Backbone interact. energy: -0.007
local terms energy: -105.809946
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -18.642
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -316.520274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.520274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.520274 (E_RNA)
where:
Base-Base interactions energy: -212.476
where: short stacking energy: -88.942
Base-Backbone interact. energy: -1.222
local terms energy: -102.822266
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -25.516
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: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -271.059584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.059584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.059584 (E_RNA)
where:
Base-Base interactions energy: -176.704
where: short stacking energy: -78.954
Base-Backbone interact. energy: -0.052
local terms energy: -94.304263
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -273.547922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.547922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.547922 (E_RNA)
where:
Base-Base interactions energy: -175.099
where: short stacking energy: -85.123
Base-Backbone interact. energy: -0.027
local terms energy: -98.422301
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -26.352
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: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -261.368678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.368678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.368678 (E_RNA)
where:
Base-Base interactions energy: -170.572
where: short stacking energy: -70.249
Base-Backbone interact. energy: -0.106
local terms energy: -90.690844
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -26.342
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -248.563577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.563577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.563577 (E_RNA)
where:
Base-Base interactions energy: -157.358
where: short stacking energy: -72.393
Base-Backbone interact. energy: -1.240
local terms energy: -89.966226
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -11.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -191.029961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.029961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.029961 (E_RNA)
where:
Base-Base interactions energy: -106.006
where: short stacking energy: -49.571
Base-Backbone interact. energy: -0.246
local terms energy: -84.778195
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -220.502924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.502924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.502924 (E_RNA)
where:
Base-Base interactions energy: -145.329
where: short stacking energy: -75.235
Base-Backbone interact. energy: -0.541
local terms energy: -74.632896
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -16.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -366.063258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.063258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.063258 (E_RNA)
where:
Base-Base interactions energy: -251.512
where: short stacking energy: -114.937
Base-Backbone interact. energy: -0.098
local terms energy: -114.453262
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -34.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -349.654762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.654762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.654762 (E_RNA)
where:
Base-Base interactions energy: -224.586
where: short stacking energy: -97.491
Base-Backbone interact. energy: -1.016
local terms energy: -124.053233
where:
bonds (distance) C4'-P energy: -23.212
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -24.324
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -30.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -299.147328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.147328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.147328 (E_RNA)
where:
Base-Base interactions energy: -202.787
where: short stacking energy: -97.692
Base-Backbone interact. energy: -0.179
local terms energy: -96.180711
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -24.902
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -326.795546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.795546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.795546 (E_RNA)
where:
Base-Base interactions energy: -208.311
where: short stacking energy: -101.226
Base-Backbone interact. energy: -0.515
local terms energy: -117.968826
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -29.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -278.467613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.467613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.467613 (E_RNA)
where:
Base-Base interactions energy: -179.528
where: short stacking energy: -83.845
Base-Backbone interact. energy: -0.088
local terms energy: -98.851725
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -22.904
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: 345
Temperature: 1.150000
Total energy: -270.293684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.293684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.293684 (E_RNA)
where:
Base-Base interactions energy: -173.282
where: short stacking energy: -81.501
Base-Backbone interact. energy: -0.180
local terms energy: -96.831368
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -22.928
flat angles C4'-P-C4' energy: -25.382
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -259.269533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.269533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.269533 (E_RNA)
where:
Base-Base interactions energy: -164.258
where: short stacking energy: -85.331
Base-Backbone interact. energy: -0.180
local terms energy: -94.831281
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -197.845179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.845179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.845179 (E_RNA)
where:
Base-Base interactions energy: -119.972
where: short stacking energy: -48.933
Base-Backbone interact. energy: -0.472
local terms energy: -77.401538
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -190.027041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.027041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.027041 (E_RNA)
where:
Base-Base interactions energy: -112.755
where: short stacking energy: -58.041
Base-Backbone interact. energy: 0.291
local terms energy: -77.562225
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -7.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -202.476606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.476606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.476606 (E_RNA)
where:
Base-Base interactions energy: -122.935
where: short stacking energy: -58.799
Base-Backbone interact. energy: 1.346
local terms energy: -80.887849
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -24.166
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -371.145427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.145427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.145427 (E_RNA)
where:
Base-Base interactions energy: -256.504
where: short stacking energy: -121.726
Base-Backbone interact. energy: -0.274
local terms energy: -114.366944
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -36.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -344.094352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.094352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.094352 (E_RNA)
where:
Base-Base interactions energy: -234.340
where: short stacking energy: -96.286
Base-Backbone interact. energy: -0.463
local terms energy: -109.290669
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -27.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -330.840188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.840188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.840188 (E_RNA)
where:
Base-Base interactions energy: -229.014
where: short stacking energy: -91.193
Base-Backbone interact. energy: -2.387
local terms energy: -99.439375
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -23.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -275.676303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.676303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.676303 (E_RNA)
where:
Base-Base interactions energy: -170.134
where: short stacking energy: -82.489
Base-Backbone interact. energy: -0.396
local terms energy: -105.146447
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -22.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -270.350199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.350199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.350199 (E_RNA)
where:
Base-Base interactions energy: -175.658
where: short stacking energy: -77.981
Base-Backbone interact. energy: -0.629
local terms energy: -94.063812
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -285.629922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.629922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.629922 (E_RNA)
where:
Base-Base interactions energy: -191.456
where: short stacking energy: -79.249
Base-Backbone interact. energy: -0.229
local terms energy: -93.945372
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -264.323734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.323734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.323734 (E_RNA)
where:
Base-Base interactions energy: -166.422
where: short stacking energy: -78.876
Base-Backbone interact. energy: -0.657
local terms energy: -97.245455
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -25.511
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: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -192.252060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.252060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.252060 (E_RNA)
where:
Base-Base interactions energy: -122.885
where: short stacking energy: -43.692
Base-Backbone interact. energy: -2.297
local terms energy: -67.070299
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -200.252758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.252758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.252758 (E_RNA)
where:
Base-Base interactions energy: -124.619
where: short stacking energy: -61.424
Base-Backbone interact. energy: -0.200
local terms energy: -75.433800
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -199.573039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.573039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.573039 (E_RNA)
where:
Base-Base interactions energy: -112.594
where: short stacking energy: -44.765
Base-Backbone interact. energy: -0.515
local terms energy: -86.463968
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -369.974300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.974300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.974300 (E_RNA)
where:
Base-Base interactions energy: -252.472
where: short stacking energy: -113.061
Base-Backbone interact. energy: -0.045
local terms energy: -117.456656
where:
bonds (distance) C4'-P energy: -22.824
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -32.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -350.977917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.977917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.977917 (E_RNA)
where:
Base-Base interactions energy: -242.970
where: short stacking energy: -94.035
Base-Backbone interact. energy: -2.921
local terms energy: -105.086297
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -316.470789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.470789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.470789 (E_RNA)
where:
Base-Base interactions energy: -209.567
where: short stacking energy: -83.670
Base-Backbone interact. energy: 1.419
local terms energy: -108.323216
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -27.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -292.950685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.950685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.950685 (E_RNA)
where:
Base-Base interactions energy: -191.317
where: short stacking energy: -86.301
Base-Backbone interact. energy: -0.982
local terms energy: -100.651356
where:
bonds (distance) C4'-P energy: -23.452
bonds (distance) P-C4' energy: -21.950
flat angles C4'-P-C4' energy: -23.952
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -23.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -266.950747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.950747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.950747 (E_RNA)
where:
Base-Base interactions energy: -165.917
where: short stacking energy: -79.493
Base-Backbone interact. energy: 0.784
local terms energy: -101.817624
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -24.802
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -23.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -270.274195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.274195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.274195 (E_RNA)
where:
Base-Base interactions energy: -181.173
where: short stacking energy: -96.392
Base-Backbone interact. energy: 1.785
local terms energy: -90.887135
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -25.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -251.117031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.117031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.117031 (E_RNA)
where:
Base-Base interactions energy: -155.926
where: short stacking energy: -78.555
Base-Backbone interact. energy: 1.996
local terms energy: -97.187630
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -234.327114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.327114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.327114 (E_RNA)
where:
Base-Base interactions energy: -150.910
where: short stacking energy: -78.996
Base-Backbone interact. energy: -0.123
local terms energy: -83.294553
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -194.979968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.979968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.979968 (E_RNA)
where:
Base-Base interactions energy: -114.924
where: short stacking energy: -59.288
Base-Backbone interact. energy: 0.064
local terms energy: -80.119599
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -218.513430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.513430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.513430 (E_RNA)
where:
Base-Base interactions energy: -140.067
where: short stacking energy: -63.345
Base-Backbone interact. energy: -0.529
local terms energy: -77.918054
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -22.544
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -368.849519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.849519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.849519 (E_RNA)
where:
Base-Base interactions energy: -252.296
where: short stacking energy: -101.500
Base-Backbone interact. energy: -0.050
local terms energy: -116.503061
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -32.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -353.854784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.854784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.854784 (E_RNA)
where:
Base-Base interactions energy: -242.507
where: short stacking energy: -93.304
Base-Backbone interact. energy: -0.240
local terms energy: -111.107039
where:
bonds (distance) C4'-P energy: -25.604
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -297.821236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.821236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.821236 (E_RNA)
where:
Base-Base interactions energy: -190.164
where: short stacking energy: -89.532
Base-Backbone interact. energy: -0.063
local terms energy: -107.593622
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -25.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -310.574373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.574373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.574373 (E_RNA)
where:
Base-Base interactions energy: -211.974
where: short stacking energy: -97.969
Base-Backbone interact. energy: -0.243
local terms energy: -98.357218
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -281.054500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.054500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.054500 (E_RNA)
where:
Base-Base interactions energy: -189.380
where: short stacking energy: -87.845
Base-Backbone interact. energy: -0.105
local terms energy: -91.569030
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -260.673826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.673826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.673826 (E_RNA)
where:
Base-Base interactions energy: -165.837
where: short stacking energy: -83.302
Base-Backbone interact. energy: -0.206
local terms energy: -94.631413
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -253.846647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.846647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.846647 (E_RNA)
where:
Base-Base interactions energy: -164.873
where: short stacking energy: -79.890
Base-Backbone interact. energy: -0.806
local terms energy: -88.167089
where:
bonds (distance) C4'-P energy: -9.335
bonds (distance) P-C4' energy: -19.472
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -18.520
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: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -263.741635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.741635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.741635 (E_RNA)
where:
Base-Base interactions energy: -171.508
where: short stacking energy: -80.059
Base-Backbone interact. energy: -0.557
local terms energy: -91.676945
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -18.315
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -231.515724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.515724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.515724 (E_RNA)
where:
Base-Base interactions energy: -153.505
where: short stacking energy: -66.688
Base-Backbone interact. energy: 0.409
local terms energy: -78.419684
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -12.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -177.358626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.358626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.358626 (E_RNA)
where:
Base-Base interactions energy: -110.578
where: short stacking energy: -44.264
Base-Backbone interact. energy: -0.630
local terms energy: -66.151203
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -364.891170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.891170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.891170 (E_RNA)
where:
Base-Base interactions energy: -253.218
where: short stacking energy: -111.047
Base-Backbone interact. energy: -0.346
local terms energy: -111.327284
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -25.206
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -29.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -357.246552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.246552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.246552 (E_RNA)
where:
Base-Base interactions energy: -252.046
where: short stacking energy: -95.145
Base-Backbone interact. energy: -0.095
local terms energy: -105.105157
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -23.650
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -24.699
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: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -303.767419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.767419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.767419 (E_RNA)
where:
Base-Base interactions energy: -204.925
where: short stacking energy: -91.748
Base-Backbone interact. energy: -0.028
local terms energy: -98.814736
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -25.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -301.848134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.848134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.848134 (E_RNA)
where:
Base-Base interactions energy: -197.018
where: short stacking energy: -98.055
Base-Backbone interact. energy: -0.472
local terms energy: -104.357587
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -27.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -310.989774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.989774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.989774 (E_RNA)
where:
Base-Base interactions energy: -202.912
where: short stacking energy: -85.085
Base-Backbone interact. energy: -0.175
local terms energy: -107.902013
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -25.257
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -18.531
tors. eta vs tors. theta energy: -21.358
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: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -279.811082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.811082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.811082 (E_RNA)
where:
Base-Base interactions energy: -184.043
where: short stacking energy: -87.309
Base-Backbone interact. energy: -0.495
local terms energy: -95.272856
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -249.042493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.042493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.042493 (E_RNA)
where:
Base-Base interactions energy: -170.969
where: short stacking energy: -74.571
Base-Backbone interact. energy: -0.791
local terms energy: -77.282125
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -13.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -240.973621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.973621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.973621 (E_RNA)
where:
Base-Base interactions energy: -144.989
where: short stacking energy: -66.969
Base-Backbone interact. energy: -0.402
local terms energy: -95.582634
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -245.322991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.322991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.322991 (E_RNA)
where:
Base-Base interactions energy: -159.368
where: short stacking energy: -66.934
Base-Backbone interact. energy: -0.204
local terms energy: -85.750516
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -208.033238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.033238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.033238 (E_RNA)
where:
Base-Base interactions energy: -131.509
where: short stacking energy: -61.649
Base-Backbone interact. energy: -0.366
local terms energy: -76.157761
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -14.981
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: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -359.268737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.268737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.268737 (E_RNA)
where:
Base-Base interactions energy: -239.958
where: short stacking energy: -101.393
Base-Backbone interact. energy: -2.839
local terms energy: -116.471880
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -21.649
flat angles C4'-P-C4' energy: -26.302
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -28.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -359.189078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.189078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.189078 (E_RNA)
where:
Base-Base interactions energy: -245.509
where: short stacking energy: -101.943
Base-Backbone interact. energy: -0.059
local terms energy: -113.620891
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -29.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -295.672815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.672815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.672815 (E_RNA)
where:
Base-Base interactions energy: -196.609
where: short stacking energy: -92.489
Base-Backbone interact. energy: -0.248
local terms energy: -98.816181
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -23.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -299.739603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.739603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.739603 (E_RNA)
where:
Base-Base interactions energy: -194.103
where: short stacking energy: -74.405
Base-Backbone interact. energy: -2.192
local terms energy: -103.443970
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -14.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -282.425908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.425908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.425908 (E_RNA)
where:
Base-Base interactions energy: -175.360
where: short stacking energy: -89.130
Base-Backbone interact. energy: 0.116
local terms energy: -107.182338
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -26.826
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -25.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -277.534061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.534061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.534061 (E_RNA)
where:
Base-Base interactions energy: -191.634
where: short stacking energy: -88.935
Base-Backbone interact. energy: 0.355
local terms energy: -86.254473
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -271.557420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.557420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.557420 (E_RNA)
where:
Base-Base interactions energy: -170.253
where: short stacking energy: -86.391
Base-Backbone interact. energy: -0.033
local terms energy: -101.271857
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -23.901
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: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -263.279981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.279981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.279981 (E_RNA)
where:
Base-Base interactions energy: -174.112
where: short stacking energy: -71.009
Base-Backbone interact. energy: -0.296
local terms energy: -88.872721
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -21.152
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -198.554273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.554273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.554273 (E_RNA)
where:
Base-Base interactions energy: -128.147
where: short stacking energy: -57.622
Base-Backbone interact. energy: -1.240
local terms energy: -69.167858
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -205.834150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.834150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.834150 (E_RNA)
where:
Base-Base interactions energy: -127.685
where: short stacking energy: -65.526
Base-Backbone interact. energy: -0.379
local terms energy: -77.770139
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -373.913481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.913481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.913481 (E_RNA)
where:
Base-Base interactions energy: -266.505
where: short stacking energy: -100.229
Base-Backbone interact. energy: -2.366
local terms energy: -105.043405
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -366.054805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.054805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.054805 (E_RNA)
where:
Base-Base interactions energy: -243.827
where: short stacking energy: -109.778
Base-Backbone interact. energy: -0.177
local terms energy: -122.050513
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -26.720
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -35.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -291.816988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.816988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.816988 (E_RNA)
where:
Base-Base interactions energy: -193.793
where: short stacking energy: -92.368
Base-Backbone interact. energy: -0.766
local terms energy: -97.258336
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -23.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -315.489006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.489006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.489006 (E_RNA)
where:
Base-Base interactions energy: -213.098
where: short stacking energy: -100.065
Base-Backbone interact. energy: -0.100
local terms energy: -102.290656
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -29.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -273.849536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.849536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.849536 (E_RNA)
where:
Base-Base interactions energy: -175.219
where: short stacking energy: -78.684
Base-Backbone interact. energy: -0.018
local terms energy: -98.612740
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -281.661617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.661617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.661617 (E_RNA)
where:
Base-Base interactions energy: -186.647
where: short stacking energy: -80.922
Base-Backbone interact. energy: -0.243
local terms energy: -94.772481
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -267.549239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.549239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.549239 (E_RNA)
where:
Base-Base interactions energy: -177.139
where: short stacking energy: -79.101
Base-Backbone interact. energy: 0.689
local terms energy: -91.100036
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -243.766782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.766782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.766782 (E_RNA)
where:
Base-Base interactions energy: -162.916
where: short stacking energy: -65.368
Base-Backbone interact. energy: -0.233
local terms energy: -80.617828
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -10.110
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: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -205.278308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.278308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.278308 (E_RNA)
where:
Base-Base interactions energy: -134.445
where: short stacking energy: -61.442
Base-Backbone interact. energy: 0.633
local terms energy: -71.467143
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -11.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -253.440295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.440295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.440295 (E_RNA)
where:
Base-Base interactions energy: -161.978
where: short stacking energy: -72.028
Base-Backbone interact. energy: -0.548
local terms energy: -90.914792
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -371.078045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.078045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.078045 (E_RNA)
where:
Base-Base interactions energy: -256.733
where: short stacking energy: -98.485
Base-Backbone interact. energy: -2.403
local terms energy: -111.942350
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -19.882
tors. eta vs tors. theta energy: -24.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -361.622433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.622433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.622433 (E_RNA)
where:
Base-Base interactions energy: -251.184
where: short stacking energy: -108.667
Base-Backbone interact. energy: -0.001
local terms energy: -110.437236
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -24.412
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -33.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -290.928228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.928228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.928228 (E_RNA)
where:
Base-Base interactions energy: -183.864
where: short stacking energy: -94.643
Base-Backbone interact. energy: -0.018
local terms energy: -107.046858
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -26.927
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -24.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -289.885381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.885381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.885381 (E_RNA)
where:
Base-Base interactions energy: -197.089
where: short stacking energy: -90.923
Base-Backbone interact. energy: -0.670
local terms energy: -92.127100
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -274.088182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.088182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.088182 (E_RNA)
where:
Base-Base interactions energy: -179.635
where: short stacking energy: -78.942
Base-Backbone interact. energy: -0.327
local terms energy: -94.126039
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -20.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -285.054635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.054635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.054635 (E_RNA)
where:
Base-Base interactions energy: -197.790
where: short stacking energy: -92.317
Base-Backbone interact. energy: 2.631
local terms energy: -89.895352
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -25.517
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: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -274.379888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.379888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.379888 (E_RNA)
where:
Base-Base interactions energy: -198.717
where: short stacking energy: -63.958
Base-Backbone interact. energy: -0.197
local terms energy: -75.466491
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -4.222
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -257.839611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.839611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.839611 (E_RNA)
where:
Base-Base interactions energy: -165.794
where: short stacking energy: -73.980
Base-Backbone interact. energy: 0.876
local terms energy: -92.921368
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -26.507
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -239.478473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.478473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.478473 (E_RNA)
where:
Base-Base interactions energy: -156.627
where: short stacking energy: -69.337
Base-Backbone interact. energy: 0.819
local terms energy: -83.670722
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -214.616749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.616749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.616749 (E_RNA)
where:
Base-Base interactions energy: -129.699
where: short stacking energy: -58.163
Base-Backbone interact. energy: -0.129
local terms energy: -84.789259
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -368.898594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.898594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.898594 (E_RNA)
where:
Base-Base interactions energy: -251.925
where: short stacking energy: -104.199
Base-Backbone interact. energy: -1.965
local terms energy: -115.008822
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -22.255
flat angles C4'-P-C4' energy: -22.608
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -26.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -358.998753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.998753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.998753 (E_RNA)
where:
Base-Base interactions energy: -241.684
where: short stacking energy: -112.466
Base-Backbone interact. energy: -0.040
local terms energy: -117.274577
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -26.303
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -31.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -303.302674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.302674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.302674 (E_RNA)
where:
Base-Base interactions energy: -195.415
where: short stacking energy: -95.776
Base-Backbone interact. energy: -0.200
local terms energy: -107.687474
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -25.362
flat angles C4'-P-C4' energy: -24.845
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -26.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -295.917603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.917603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.917603 (E_RNA)
where:
Base-Base interactions energy: -199.707
where: short stacking energy: -80.111
Base-Backbone interact. energy: -0.517
local terms energy: -95.692859
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -291.478198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.478198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.478198 (E_RNA)
where:
Base-Base interactions energy: -193.556
where: short stacking energy: -90.441
Base-Backbone interact. energy: -0.761
local terms energy: -97.161577
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -24.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -291.216449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.216449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.216449 (E_RNA)
where:
Base-Base interactions energy: -194.774
where: short stacking energy: -77.385
Base-Backbone interact. energy: 5.436
local terms energy: -101.877769
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -24.207
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -23.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -256.839393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.839393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.839393 (E_RNA)
where:
Base-Base interactions energy: -175.590
where: short stacking energy: -74.669
Base-Backbone interact. energy: 0.297
local terms energy: -81.547270
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -248.515612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.515612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.515612 (E_RNA)
where:
Base-Base interactions energy: -172.373
where: short stacking energy: -67.234
Base-Backbone interact. energy: -0.304
local terms energy: -75.838536
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -245.787331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.787331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.787331 (E_RNA)
where:
Base-Base interactions energy: -159.082
where: short stacking energy: -61.866
Base-Backbone interact. energy: -0.211
local terms energy: -86.494156
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -21.404
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -13.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -213.238273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.238273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.238273 (E_RNA)
where:
Base-Base interactions energy: -126.356
where: short stacking energy: -62.208
Base-Backbone interact. energy: -0.687
local terms energy: -86.194807
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -12.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -366.468298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.468298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.468298 (E_RNA)
where:
Base-Base interactions energy: -253.184
where: short stacking energy: -107.599
Base-Backbone interact. energy: -0.218
local terms energy: -113.066355
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -35.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -344.562979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.562979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.562979 (E_RNA)
where:
Base-Base interactions energy: -237.109
where: short stacking energy: -104.556
Base-Backbone interact. energy: -0.895
local terms energy: -106.559235
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -26.372
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -27.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -308.919653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.919653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.919653 (E_RNA)
where:
Base-Base interactions energy: -207.492
where: short stacking energy: -81.572
Base-Backbone interact. energy: 1.448
local terms energy: -102.875995
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -302.667567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.667567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.667567 (E_RNA)
where:
Base-Base interactions energy: -192.944
where: short stacking energy: -82.121
Base-Backbone interact. energy: -0.145
local terms energy: -109.579109
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -21.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -302.755494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.755494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.755494 (E_RNA)
where:
Base-Base interactions energy: -204.410
where: short stacking energy: -79.082
Base-Backbone interact. energy: -1.036
local terms energy: -97.309412
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -279.825723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.825723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.825723 (E_RNA)
where:
Base-Base interactions energy: -182.311
where: short stacking energy: -81.372
Base-Backbone interact. energy: -0.536
local terms energy: -96.978683
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -265.110981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.110981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.110981 (E_RNA)
where:
Base-Base interactions energy: -168.473
where: short stacking energy: -68.514
Base-Backbone interact. energy: -0.135
local terms energy: -96.503005
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -247.348160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.348160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.348160 (E_RNA)
where:
Base-Base interactions energy: -163.235
where: short stacking energy: -80.970
Base-Backbone interact. energy: -0.271
local terms energy: -83.842514
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -197.523935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.523935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.523935 (E_RNA)
where:
Base-Base interactions energy: -122.948
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.267
local terms energy: -74.308386
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -10.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -224.588738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.588738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.588738 (E_RNA)
where:
Base-Base interactions energy: -147.540
where: short stacking energy: -58.463
Base-Backbone interact. energy: -0.422
local terms energy: -76.625895
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -12.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -366.080897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.080897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.080897 (E_RNA)
where:
Base-Base interactions energy: -246.373
where: short stacking energy: -100.885
Base-Backbone interact. energy: -0.291
local terms energy: -119.417428
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -25.529
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -35.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -332.835275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.835275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.835275 (E_RNA)
where:
Base-Base interactions energy: -222.436
where: short stacking energy: -92.954
Base-Backbone interact. energy: -0.649
local terms energy: -109.749746
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -22.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -308.172636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.172636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.172636 (E_RNA)
where:
Base-Base interactions energy: -203.819
where: short stacking energy: -87.806
Base-Backbone interact. energy: -1.762
local terms energy: -102.591501
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -24.735
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -22.273
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: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -321.468265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.468265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.468265 (E_RNA)
where:
Base-Base interactions energy: -218.422
where: short stacking energy: -78.366
Base-Backbone interact. energy: -0.987
local terms energy: -102.059095
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -22.970
flat angles C4'-P-C4' energy: -24.816
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -23.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -255.440915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.440915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.440915 (E_RNA)
where:
Base-Base interactions energy: -173.598
where: short stacking energy: -72.508
Base-Backbone interact. energy: -0.158
local terms energy: -81.684499
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -265.756590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.756590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.756590 (E_RNA)
where:
Base-Base interactions energy: -173.105
where: short stacking energy: -77.896
Base-Backbone interact. energy: -0.205
local terms energy: -92.446630
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -19.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -264.531403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.531403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.531403 (E_RNA)
where:
Base-Base interactions energy: -169.575
where: short stacking energy: -78.363
Base-Backbone interact. energy: -0.107
local terms energy: -94.848899
where:
bonds (distance) C4'-P energy: -17.928
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -21.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -201.484775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.484775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.484775 (E_RNA)
where:
Base-Base interactions energy: -117.515
where: short stacking energy: -55.289
Base-Backbone interact. energy: -0.283
local terms energy: -83.686958
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -249.024539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.024539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.024539 (E_RNA)
where:
Base-Base interactions energy: -161.953
where: short stacking energy: -67.786
Base-Backbone interact. energy: -0.585
local terms energy: -86.487006
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -208.348194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.348194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.348194 (E_RNA)
where:
Base-Base interactions energy: -140.512
where: short stacking energy: -52.384
Base-Backbone interact. energy: 0.138
local terms energy: -67.974674
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -11.132
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: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -371.044951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.044951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.044951 (E_RNA)
where:
Base-Base interactions energy: -250.620
where: short stacking energy: -110.175
Base-Backbone interact. energy: -0.001
local terms energy: -120.423560
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -32.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -313.663901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.663901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.663901 (E_RNA)
where:
Base-Base interactions energy: -213.457
where: short stacking energy: -94.587
Base-Backbone interact. energy: 1.994
local terms energy: -102.200688
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -336.000163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.000163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.000163 (E_RNA)
where:
Base-Base interactions energy: -222.914
where: short stacking energy: -101.598
Base-Backbone interact. energy: -0.187
local terms energy: -112.899325
where:
bonds (distance) C4'-P energy: -24.532
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -28.736
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: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -302.563226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.563226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.563226 (E_RNA)
where:
Base-Base interactions energy: -209.514
where: short stacking energy: -91.307
Base-Backbone interact. energy: -1.309
local terms energy: -91.740263
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -17.582
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -294.957917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.957917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.957917 (E_RNA)
where:
Base-Base interactions energy: -186.866
where: short stacking energy: -93.023
Base-Backbone interact. energy: -0.096
local terms energy: -107.995979
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -28.098
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: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -259.548480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.548480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.548480 (E_RNA)
where:
Base-Base interactions energy: -167.183
where: short stacking energy: -81.013
Base-Backbone interact. energy: -0.027
local terms energy: -92.338337
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -257.287877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.287877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.287877 (E_RNA)
where:
Base-Base interactions energy: -174.388
where: short stacking energy: -89.890
Base-Backbone interact. energy: 2.035
local terms energy: -84.934427
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -191.344648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.344648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.344648 (E_RNA)
where:
Base-Base interactions energy: -112.558
where: short stacking energy: -60.138
Base-Backbone interact. energy: -0.784
local terms energy: -78.002212
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -25.422
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -7.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -232.282648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.282648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.282648 (E_RNA)
where:
Base-Base interactions energy: -146.765
where: short stacking energy: -51.095
Base-Backbone interact. energy: -1.308
local terms energy: -84.209899
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -182.093953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.093953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.093953 (E_RNA)
where:
Base-Base interactions energy: -112.689
where: short stacking energy: -48.863
Base-Backbone interact. energy: -0.070
local terms energy: -69.334717
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -4.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -383.921309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.921309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.921309 (E_RNA)
where:
Base-Base interactions energy: -261.722
where: short stacking energy: -114.125
Base-Backbone interact. energy: -0.269
local terms energy: -121.930427
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -33.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -333.991466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.991466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.991466 (E_RNA)
where:
Base-Base interactions energy: -227.294
where: short stacking energy: -90.838
Base-Backbone interact. energy: 1.010
local terms energy: -107.707984
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -340.323688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.323688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.323688 (E_RNA)
where:
Base-Base interactions energy: -231.710
where: short stacking energy: -105.376
Base-Backbone interact. energy: -1.133
local terms energy: -107.480892
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -29.971
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: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -289.121928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.121928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.121928 (E_RNA)
where:
Base-Base interactions energy: -193.827
where: short stacking energy: -87.027
Base-Backbone interact. energy: -0.507
local terms energy: -94.787961
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -24.747
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -23.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -307.319152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.319152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.319152 (E_RNA)
where:
Base-Base interactions energy: -202.310
where: short stacking energy: -89.061
Base-Backbone interact. energy: -0.722
local terms energy: -104.287190
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -22.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -255.177381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.177381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.177381 (E_RNA)
where:
Base-Base interactions energy: -165.523
where: short stacking energy: -81.315
Base-Backbone interact. energy: -0.035
local terms energy: -89.618903
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -25.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -253.816584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.816584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.816584 (E_RNA)
where:
Base-Base interactions energy: -153.815
where: short stacking energy: -65.394
Base-Backbone interact. energy: -1.065
local terms energy: -98.936438
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -13.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -228.385849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.385849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.385849 (E_RNA)
where:
Base-Base interactions energy: -139.725
where: short stacking energy: -72.498
Base-Backbone interact. energy: -0.231
local terms energy: -88.429367
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -12.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -197.048250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.048250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.048250 (E_RNA)
where:
Base-Base interactions energy: -118.767
where: short stacking energy: -67.306
Base-Backbone interact. energy: -0.165
local terms energy: -78.116478
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -197.770242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.770242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.770242 (E_RNA)
where:
Base-Base interactions energy: -128.403
where: short stacking energy: -63.522
Base-Backbone interact. energy: 1.387
local terms energy: -70.754296
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -3.332
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -375.435548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.435548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.435548 (E_RNA)
where:
Base-Base interactions energy: -257.058
where: short stacking energy: -110.049
Base-Backbone interact. energy: -0.049
local terms energy: -118.328560
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -31.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -326.033570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.033570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.033570 (E_RNA)
where:
Base-Base interactions energy: -213.238
where: short stacking energy: -91.214
Base-Backbone interact. energy: 0.767
local terms energy: -113.562776
where:
bonds (distance) C4'-P energy: -24.500
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -23.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -337.118197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.118197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.118197 (E_RNA)
where:
Base-Base interactions energy: -233.444
where: short stacking energy: -90.255
Base-Backbone interact. energy: -0.466
local terms energy: -103.207618
where:
bonds (distance) C4'-P energy: -23.693
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -17.746
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -283.571461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.571461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.571461 (E_RNA)
where:
Base-Base interactions energy: -182.538
where: short stacking energy: -85.026
Base-Backbone interact. energy: -0.198
local terms energy: -100.835120
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -265.216755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.216755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.216755 (E_RNA)
where:
Base-Base interactions energy: -174.586
where: short stacking energy: -82.046
Base-Backbone interact. energy: 1.221
local terms energy: -91.852671
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -20.866
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: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -278.487999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.487999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.487999 (E_RNA)
where:
Base-Base interactions energy: -182.993
where: short stacking energy: -84.685
Base-Backbone interact. energy: -0.269
local terms energy: -95.225964
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -254.969557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.969557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.969557 (E_RNA)
where:
Base-Base interactions energy: -160.864
where: short stacking energy: -81.102
Base-Backbone interact. energy: -0.029
local terms energy: -94.076037
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -25.517
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -209.133698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.133698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.133698 (E_RNA)
where:
Base-Base interactions energy: -128.838
where: short stacking energy: -68.190
Base-Backbone interact. energy: -0.299
local terms energy: -79.996482
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -206.032440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.032440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.032440 (E_RNA)
where:
Base-Base interactions energy: -131.104
where: short stacking energy: -55.548
Base-Backbone interact. energy: 0.901
local terms energy: -75.829228
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -197.624553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.624553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.624553 (E_RNA)
where:
Base-Base interactions energy: -125.964
where: short stacking energy: -64.384
Base-Backbone interact. energy: -0.397
local terms energy: -71.263738
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -372.888771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.888771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.888771 (E_RNA)
where:
Base-Base interactions energy: -246.283
where: short stacking energy: -107.466
Base-Backbone interact. energy: -0.010
local terms energy: -126.595594
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -27.554
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -32.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -363.904166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.904166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.904166 (E_RNA)
where:
Base-Base interactions energy: -243.969
where: short stacking energy: -87.281
Base-Backbone interact. energy: -1.065
local terms energy: -118.869975
where:
bonds (distance) C4'-P energy: -24.059
bonds (distance) P-C4' energy: -24.582
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -20.687
tors. eta vs tors. theta energy: -27.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -325.266318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.266318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.266318 (E_RNA)
where:
Base-Base interactions energy: -217.354
where: short stacking energy: -89.728
Base-Backbone interact. energy: -1.485
local terms energy: -106.427257
where:
bonds (distance) C4'-P energy: -23.568
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -24.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -286.039192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.039192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.039192 (E_RNA)
where:
Base-Base interactions energy: -181.301
where: short stacking energy: -86.109
Base-Backbone interact. energy: 0.717
local terms energy: -105.454711
where:
bonds (distance) C4'-P energy: -23.395
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -17.170
tors. eta vs tors. theta energy: -24.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -285.454688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.454688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.454688 (E_RNA)
where:
Base-Base interactions energy: -177.840
where: short stacking energy: -88.761
Base-Backbone interact. energy: 0.968
local terms energy: -108.582365
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -25.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -272.279559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.279559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.279559 (E_RNA)
where:
Base-Base interactions energy: -178.107
where: short stacking energy: -93.382
Base-Backbone interact. energy: -0.453
local terms energy: -93.719291
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -26.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -262.959269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.959269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.959269 (E_RNA)
where:
Base-Base interactions energy: -166.545
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.605
local terms energy: -95.809201
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -26.257
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -207.805546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.805546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.805546 (E_RNA)
where:
Base-Base interactions energy: -126.593
where: short stacking energy: -54.178
Base-Backbone interact. energy: -0.550
local terms energy: -80.662957
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -237.523019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.523019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.523019 (E_RNA)
where:
Base-Base interactions energy: -150.149
where: short stacking energy: -66.371
Base-Backbone interact. energy: 1.291
local terms energy: -88.664167
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -203.838072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.838072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.838072 (E_RNA)
where:
Base-Base interactions energy: -130.804
where: short stacking energy: -64.292
Base-Backbone interact. energy: 0.083
local terms energy: -73.117022
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -361.952454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.952454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.952454 (E_RNA)
where:
Base-Base interactions energy: -242.405
where: short stacking energy: -95.244
Base-Backbone interact. energy: -2.707
local terms energy: -116.840236
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -29.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -358.224414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.224414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.224414 (E_RNA)
where:
Base-Base interactions energy: -244.943
where: short stacking energy: -101.330
Base-Backbone interact. energy: -0.087
local terms energy: -113.194550
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -33.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -333.854684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.854684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.854684 (E_RNA)
where:
Base-Base interactions energy: -218.830
where: short stacking energy: -91.518
Base-Backbone interact. energy: 1.288
local terms energy: -116.312523
where:
bonds (distance) C4'-P energy: -23.833
bonds (distance) P-C4' energy: -26.071
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -25.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -280.573175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.573175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.573175 (E_RNA)
where:
Base-Base interactions energy: -182.923
where: short stacking energy: -91.083
Base-Backbone interact. energy: -0.085
local terms energy: -97.564829
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -27.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -282.630042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.630042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.630042 (E_RNA)
where:
Base-Base interactions energy: -184.668
where: short stacking energy: -93.627
Base-Backbone interact. energy: 0.090
local terms energy: -98.051818
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -269.924570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.924570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.924570 (E_RNA)
where:
Base-Base interactions energy: -171.651
where: short stacking energy: -82.925
Base-Backbone interact. energy: -0.976
local terms energy: -97.297203
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -220.896936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.896936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.896936 (E_RNA)
where:
Base-Base interactions energy: -129.297
where: short stacking energy: -59.262
Base-Backbone interact. energy: 0.075
local terms energy: -91.674556
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -243.478040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.478040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.478040 (E_RNA)
where:
Base-Base interactions energy: -160.620
where: short stacking energy: -73.195
Base-Backbone interact. energy: -0.114
local terms energy: -82.743974
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -237.162062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.162062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.162062 (E_RNA)
where:
Base-Base interactions energy: -159.193
where: short stacking energy: -71.141
Base-Backbone interact. energy: -0.562
local terms energy: -77.406619
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -12.972
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: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -182.891084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.891084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.891084 (E_RNA)
where:
Base-Base interactions energy: -96.142
where: short stacking energy: -47.938
Base-Backbone interact. energy: -0.060
local terms energy: -86.689267
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -7.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -352.180587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.180587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.180587 (E_RNA)
where:
Base-Base interactions energy: -226.516
where: short stacking energy: -98.069
Base-Backbone interact. energy: 0.530
local terms energy: -126.194385
where:
bonds (distance) C4'-P energy: -26.767
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -25.815
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: -26.055
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: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -359.171955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.171955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.171955 (E_RNA)
where:
Base-Base interactions energy: -246.160
where: short stacking energy: -94.746
Base-Backbone interact. energy: -0.070
local terms energy: -112.941528
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -22.798
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -28.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -326.331207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.331207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.331207 (E_RNA)
where:
Base-Base interactions energy: -215.041
where: short stacking energy: -98.985
Base-Backbone interact. energy: -0.414
local terms energy: -110.876801
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -28.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -297.728970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.728970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.728970 (E_RNA)
where:
Base-Base interactions energy: -192.412
where: short stacking energy: -91.941
Base-Backbone interact. energy: -0.251
local terms energy: -105.066024
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -24.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -267.579635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.579635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.579635 (E_RNA)
where:
Base-Base interactions energy: -175.566
where: short stacking energy: -78.609
Base-Backbone interact. energy: 0.595
local terms energy: -92.608965
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -222.935437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.935437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.935437 (E_RNA)
where:
Base-Base interactions energy: -138.723
where: short stacking energy: -66.883
Base-Backbone interact. energy: -0.374
local terms energy: -83.838372
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -242.242072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.242072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.242072 (E_RNA)
where:
Base-Base interactions energy: -148.764
where: short stacking energy: -65.588
Base-Backbone interact. energy: -0.181
local terms energy: -93.296659
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -241.905106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.905106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.905106 (E_RNA)
where:
Base-Base interactions energy: -156.585
where: short stacking energy: -64.010
Base-Backbone interact. energy: -0.590
local terms energy: -84.729764
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -218.051220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.051220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.051220 (E_RNA)
where:
Base-Base interactions energy: -139.184
where: short stacking energy: -52.046
Base-Backbone interact. energy: 2.486
local terms energy: -81.353603
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -11.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -172.598471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.598471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.598471 (E_RNA)
where:
Base-Base interactions energy: -105.902
where: short stacking energy: -49.904
Base-Backbone interact. energy: -0.534
local terms energy: -66.163001
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -381.990613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.990613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.990613 (E_RNA)
where:
Base-Base interactions energy: -263.401
where: short stacking energy: -112.608
Base-Backbone interact. energy: -0.004
local terms energy: -118.585986
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -26.092
flat angles C4'-P-C4' energy: -22.803
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -31.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -340.138914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.138914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.138914 (E_RNA)
where:
Base-Base interactions energy: -230.334
where: short stacking energy: -99.779
Base-Backbone interact. energy: -0.003
local terms energy: -109.801326
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -23.854
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -23.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -327.353484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.353484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.353484 (E_RNA)
where:
Base-Base interactions energy: -217.528
where: short stacking energy: -85.622
Base-Backbone interact. energy: 0.015
local terms energy: -109.840132
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -287.434930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.434930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.434930 (E_RNA)
where:
Base-Base interactions energy: -190.208
where: short stacking energy: -88.640
Base-Backbone interact. energy: -0.732
local terms energy: -96.494987
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -270.725907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.725907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.725907 (E_RNA)
where:
Base-Base interactions energy: -176.348
where: short stacking energy: -77.812
Base-Backbone interact. energy: -0.203
local terms energy: -94.175373
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -250.930020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.930020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.930020 (E_RNA)
where:
Base-Base interactions energy: -158.028
where: short stacking energy: -66.849
Base-Backbone interact. energy: -0.007
local terms energy: -92.894763
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -23.350
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -248.274990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.274990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.274990 (E_RNA)
where:
Base-Base interactions energy: -157.784
where: short stacking energy: -69.828
Base-Backbone interact. energy: -0.669
local terms energy: -89.822077
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -16.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -237.510274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.510274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.510274 (E_RNA)
where:
Base-Base interactions energy: -150.771
where: short stacking energy: -69.019
Base-Backbone interact. energy: -0.352
local terms energy: -86.387432
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -205.822408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.822408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.822408 (E_RNA)
where:
Base-Base interactions energy: -117.792
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.610
local terms energy: -87.420251
where:
bonds (distance) C4'-P energy: -22.029
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -219.526289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.526289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.526289 (E_RNA)
where:
Base-Base interactions energy: -128.796
where: short stacking energy: -59.933
Base-Backbone interact. energy: -0.775
local terms energy: -89.955296
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -374.053226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.053226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.053226 (E_RNA)
where:
Base-Base interactions energy: -255.261
where: short stacking energy: -110.888
Base-Backbone interact. energy: -0.003
local terms energy: -118.789433
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -25.369
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -35.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -348.044645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.044645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.044645 (E_RNA)
where:
Base-Base interactions energy: -235.851
where: short stacking energy: -96.862
Base-Backbone interact. energy: -1.583
local terms energy: -110.609765
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -26.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -353.103771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.103771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.103771 (E_RNA)
where:
Base-Base interactions energy: -240.264
where: short stacking energy: -111.022
Base-Backbone interact. energy: 0.479
local terms energy: -113.318642
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -27.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -300.787928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.787928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.787928 (E_RNA)
where:
Base-Base interactions energy: -199.139
where: short stacking energy: -90.430
Base-Backbone interact. energy: -1.808
local terms energy: -99.840717
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -294.868588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.868588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.868588 (E_RNA)
where:
Base-Base interactions energy: -188.663
where: short stacking energy: -96.309
Base-Backbone interact. energy: -0.241
local terms energy: -105.965195
where:
bonds (distance) C4'-P energy: -24.973
bonds (distance) P-C4' energy: -22.516
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -27.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -256.975631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.975631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.975631 (E_RNA)
where:
Base-Base interactions energy: -175.793
where: short stacking energy: -68.637
Base-Backbone interact. energy: -1.464
local terms energy: -79.718819
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -254.044832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.044832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.044832 (E_RNA)
where:
Base-Base interactions energy: -161.993
where: short stacking energy: -67.060
Base-Backbone interact. energy: 0.192
local terms energy: -92.244252
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -241.443118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.443118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.443118 (E_RNA)
where:
Base-Base interactions energy: -152.212
where: short stacking energy: -70.816
Base-Backbone interact. energy: -0.246
local terms energy: -88.984831
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -11.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -201.840183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.840183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.840183 (E_RNA)
where:
Base-Base interactions energy: -120.864
where: short stacking energy: -69.059
Base-Backbone interact. energy: -0.015
local terms energy: -80.961122
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -212.759042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.759042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.759042 (E_RNA)
where:
Base-Base interactions energy: -136.767
where: short stacking energy: -59.719
Base-Backbone interact. energy: -0.396
local terms energy: -75.596064
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -17.665
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: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -359.801481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.801481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.801481 (E_RNA)
where:
Base-Base interactions energy: -248.328
where: short stacking energy: -93.076
Base-Backbone interact. energy: -0.078
local terms energy: -111.394863
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -23.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -367.787036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.787036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.787036 (E_RNA)
where:
Base-Base interactions energy: -252.191
where: short stacking energy: -104.392
Base-Backbone interact. energy: -0.241
local terms energy: -115.355764
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -25.419
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -32.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -316.753845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.753845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.753845 (E_RNA)
where:
Base-Base interactions energy: -215.339
where: short stacking energy: -95.202
Base-Backbone interact. energy: -0.778
local terms energy: -100.636884
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -323.470348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.470348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.470348 (E_RNA)
where:
Base-Base interactions energy: -216.259
where: short stacking energy: -90.671
Base-Backbone interact. energy: -0.849
local terms energy: -106.362365
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -29.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -284.049839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.049839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.049839 (E_RNA)
where:
Base-Base interactions energy: -189.355
where: short stacking energy: -89.326
Base-Backbone interact. energy: -1.255
local terms energy: -93.440293
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -21.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -275.815832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.815832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.815832 (E_RNA)
where:
Base-Base interactions energy: -186.225
where: short stacking energy: -86.402
Base-Backbone interact. energy: 0.389
local terms energy: -89.980065
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -257.277095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.277095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.277095 (E_RNA)
where:
Base-Base interactions energy: -174.734
where: short stacking energy: -80.377
Base-Backbone interact. energy: -1.283
local terms energy: -81.259683
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -251.025345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.025345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.025345 (E_RNA)
where:
Base-Base interactions energy: -170.347
where: short stacking energy: -79.946
Base-Backbone interact. energy: -0.047
local terms energy: -80.631436
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -223.114713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.114713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.114713 (E_RNA)
where:
Base-Base interactions energy: -125.969
where: short stacking energy: -46.301
Base-Backbone interact. energy: -0.793
local terms energy: -96.352937
where:
bonds (distance) C4'-P energy: -21.899
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -22.885
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -192.783979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.783979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.783979 (E_RNA)
where:
Base-Base interactions energy: -115.607
where: short stacking energy: -55.801
Base-Backbone interact. energy: -0.628
local terms energy: -76.549540
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -9.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -371.377346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.377346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.377346 (E_RNA)
where:
Base-Base interactions energy: -255.281
where: short stacking energy: -95.233
Base-Backbone interact. energy: -0.554
local terms energy: -115.543122
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -27.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -363.080050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.080050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.080050 (E_RNA)
where:
Base-Base interactions energy: -241.331
where: short stacking energy: -119.601
Base-Backbone interact. energy: -0.023
local terms energy: -121.725606
where:
bonds (distance) C4'-P energy: -26.442
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -35.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -304.331503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.331503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.331503 (E_RNA)
where:
Base-Base interactions energy: -204.502
where: short stacking energy: -89.586
Base-Backbone interact. energy: -0.244
local terms energy: -99.585233
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -312.340882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.340882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.340882 (E_RNA)
where:
Base-Base interactions energy: -208.996
where: short stacking energy: -89.943
Base-Backbone interact. energy: -0.127
local terms energy: -103.217233
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -25.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -259.682038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.682038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.682038 (E_RNA)
where:
Base-Base interactions energy: -161.831
where: short stacking energy: -75.129
Base-Backbone interact. energy: -0.185
local terms energy: -97.666218
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -285.216843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.216843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.216843 (E_RNA)
where:
Base-Base interactions energy: -188.824
where: short stacking energy: -89.745
Base-Backbone interact. energy: -0.166
local terms energy: -96.226344
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -22.439
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: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -249.158364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.158364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.158364 (E_RNA)
where:
Base-Base interactions energy: -156.642
where: short stacking energy: -73.638
Base-Backbone interact. energy: -0.986
local terms energy: -91.530101
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -247.843259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.843259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.843259 (E_RNA)
where:
Base-Base interactions energy: -155.728
where: short stacking energy: -72.257
Base-Backbone interact. energy: -0.318
local terms energy: -91.797705
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -250.942995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.942995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.942995 (E_RNA)
where:
Base-Base interactions energy: -156.201
where: short stacking energy: -77.295
Base-Backbone interact. energy: 0.425
local terms energy: -95.167190
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -23.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -226.675056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.675056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.675056 (E_RNA)
where:
Base-Base interactions energy: -140.217
where: short stacking energy: -72.194
Base-Backbone interact. energy: 0.630
local terms energy: -87.087735
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -366.898550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.898550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.898550 (E_RNA)
where:
Base-Base interactions energy: -246.883
where: short stacking energy: -108.533
Base-Backbone interact. energy: -0.023
local terms energy: -119.992749
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -31.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -355.723277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.723277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.723277 (E_RNA)
where:
Base-Base interactions energy: -249.882
where: short stacking energy: -92.140
Base-Backbone interact. energy: -1.254
local terms energy: -104.587134
where:
bonds (distance) C4'-P energy: -19.703
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -24.207
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: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -339.895011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.895011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.895011 (E_RNA)
where:
Base-Base interactions energy: -234.700
where: short stacking energy: -99.312
Base-Backbone interact. energy: -0.184
local terms energy: -105.011260
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -25.578
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -26.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -284.575788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.575788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.575788 (E_RNA)
where:
Base-Base interactions energy: -190.463
where: short stacking energy: -81.787
Base-Backbone interact. energy: 1.268
local terms energy: -95.380267
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -21.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -266.632565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.632565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.632565 (E_RNA)
where:
Base-Base interactions energy: -173.366
where: short stacking energy: -82.800
Base-Backbone interact. energy: -0.271
local terms energy: -92.995575
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -286.768245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.768245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.768245 (E_RNA)
where:
Base-Base interactions energy: -183.772
where: short stacking energy: -94.652
Base-Backbone interact. energy: -0.011
local terms energy: -102.984815
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -23.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -253.507097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.507097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.507097 (E_RNA)
where:
Base-Base interactions energy: -160.272
where: short stacking energy: -76.959
Base-Backbone interact. energy: -0.063
local terms energy: -93.172485
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -254.114969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.114969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.114969 (E_RNA)
where:
Base-Base interactions energy: -174.283
where: short stacking energy: -76.148
Base-Backbone interact. energy: -0.192
local terms energy: -79.640409
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -217.009414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.009414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.009414 (E_RNA)
where:
Base-Base interactions energy: -136.767
where: short stacking energy: -54.631
Base-Backbone interact. energy: -0.182
local terms energy: -80.059793
where:
bonds (distance) C4'-P energy: -23.384
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -207.954642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.954642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.954642 (E_RNA)
where:
Base-Base interactions energy: -137.176
where: short stacking energy: -69.453
Base-Backbone interact. energy: -0.386
local terms energy: -70.392648
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -375.096839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.096839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.096839 (E_RNA)
where:
Base-Base interactions energy: -259.673
where: short stacking energy: -103.217
Base-Backbone interact. energy: -0.115
local terms energy: -115.308416
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -26.568
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -31.689
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: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -347.824122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.824122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.824122 (E_RNA)
where:
Base-Base interactions energy: -235.893
where: short stacking energy: -97.278
Base-Backbone interact. energy: -0.888
local terms energy: -111.043952
where:
bonds (distance) C4'-P energy: -23.316
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -23.014
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -25.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -346.870478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.870478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.870478 (E_RNA)
where:
Base-Base interactions energy: -235.499
where: short stacking energy: -96.723
Base-Backbone interact. energy: -0.548
local terms energy: -110.823150
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -25.568
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -25.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -283.572725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.572725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.572725 (E_RNA)
where:
Base-Base interactions energy: -183.331
where: short stacking energy: -74.123
Base-Backbone interact. energy: -0.848
local terms energy: -99.393020
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -24.826
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -293.750302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.750302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.750302 (E_RNA)
where:
Base-Base interactions energy: -183.691
where: short stacking energy: -88.641
Base-Backbone interact. energy: -0.581
local terms energy: -109.478453
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -25.047
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -262.065901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.065901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.065901 (E_RNA)
where:
Base-Base interactions energy: -162.383
where: short stacking energy: -68.443
Base-Backbone interact. energy: -0.598
local terms energy: -99.084851
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -19.202
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -14.950
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: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -261.739222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.739222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.739222 (E_RNA)
where:
Base-Base interactions energy: -163.059
where: short stacking energy: -78.536
Base-Backbone interact. energy: -0.608
local terms energy: -98.072633
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -23.359
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: 367
Temperature: 1.250000
Total energy: -239.920866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.920866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.920866 (E_RNA)
where:
Base-Base interactions energy: -155.017
where: short stacking energy: -71.183
Base-Backbone interact. energy: -0.225
local terms energy: -84.678567
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -241.819513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.819513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.819513 (E_RNA)
where:
Base-Base interactions energy: -151.327
where: short stacking energy: -67.711
Base-Backbone interact. energy: -0.549
local terms energy: -89.944201
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -213.884243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.884243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.884243 (E_RNA)
where:
Base-Base interactions energy: -133.361
where: short stacking energy: -64.451
Base-Backbone interact. energy: 0.019
local terms energy: -80.541979
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -13.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -362.488354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.488354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.488354 (E_RNA)
where:
Base-Base interactions energy: -254.431
where: short stacking energy: -97.675
Base-Backbone interact. energy: -0.617
local terms energy: -107.440107
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -21.268
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -30.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -364.851587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.851587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.851587 (E_RNA)
where:
Base-Base interactions energy: -247.633
where: short stacking energy: -108.017
Base-Backbone interact. energy: -0.086
local terms energy: -117.132373
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -32.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -343.292415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.292415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.292415 (E_RNA)
where:
Base-Base interactions energy: -232.980
where: short stacking energy: -95.313
Base-Backbone interact. energy: -0.469
local terms energy: -109.842734
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: -29.350
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: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -304.941313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.941313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.941313 (E_RNA)
where:
Base-Base interactions energy: -207.084
where: short stacking energy: -90.546
Base-Backbone interact. energy: -0.465
local terms energy: -97.392507
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -23.255
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: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -282.474763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.474763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.474763 (E_RNA)
where:
Base-Base interactions energy: -183.932
where: short stacking energy: -91.727
Base-Backbone interact. energy: 0.218
local terms energy: -98.760521
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -265.719284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.719284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.719284 (E_RNA)
where:
Base-Base interactions energy: -183.485
where: short stacking energy: -88.132
Base-Backbone interact. energy: -0.431
local terms energy: -81.803461
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -253.643990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.643990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.643990 (E_RNA)
where:
Base-Base interactions energy: -152.727
where: short stacking energy: -68.400
Base-Backbone interact. energy: -0.223
local terms energy: -100.693550
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -16.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -214.693123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.693123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.693123 (E_RNA)
where:
Base-Base interactions energy: -134.365
where: short stacking energy: -65.059
Base-Backbone interact. energy: -0.417
local terms energy: -79.910368
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -10.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -231.834813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.834813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.834813 (E_RNA)
where:
Base-Base interactions energy: -141.918
where: short stacking energy: -63.857
Base-Backbone interact. energy: -0.207
local terms energy: -89.710424
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -185.420817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.420817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.420817 (E_RNA)
where:
Base-Base interactions energy: -104.442
where: short stacking energy: -46.179
Base-Backbone interact. energy: -0.263
local terms energy: -80.715756
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -354.322083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.322083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.322083 (E_RNA)
where:
Base-Base interactions energy: -235.999
where: short stacking energy: -84.955
Base-Backbone interact. energy: -1.510
local terms energy: -116.813409
where:
bonds (distance) C4'-P energy: -22.757
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -25.400
flat angles P-C4'-P energy: -20.665
tors. eta vs tors. theta energy: -24.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -374.017355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.017355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.017355 (E_RNA)
where:
Base-Base interactions energy: -259.198
where: short stacking energy: -112.700
Base-Backbone interact. energy: -0.167
local terms energy: -114.651605
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -23.812
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -33.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -334.002733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.002733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.002733 (E_RNA)
where:
Base-Base interactions energy: -222.912
where: short stacking energy: -89.289
Base-Backbone interact. energy: 1.298
local terms energy: -112.388897
where:
bonds (distance) C4'-P energy: -25.355
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -23.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -284.782862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.782862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.782862 (E_RNA)
where:
Base-Base interactions energy: -175.506
where: short stacking energy: -93.568
Base-Backbone interact. energy: -0.001
local terms energy: -109.275324
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -24.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -294.536272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.536272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.536272 (E_RNA)
where:
Base-Base interactions energy: -196.785
where: short stacking energy: -82.440
Base-Backbone interact. energy: -0.242
local terms energy: -97.508629
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -22.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -254.278644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.278644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.278644 (E_RNA)
where:
Base-Base interactions energy: -156.380
where: short stacking energy: -74.183
Base-Backbone interact. energy: -0.058
local terms energy: -97.840796
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -24.699
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -22.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -259.379503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.379503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.379503 (E_RNA)
where:
Base-Base interactions energy: -164.532
where: short stacking energy: -77.555
Base-Backbone interact. energy: -0.074
local terms energy: -94.773925
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -198.772724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.772724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.772724 (E_RNA)
where:
Base-Base interactions energy: -111.752
where: short stacking energy: -57.063
Base-Backbone interact. energy: 0.156
local terms energy: -87.176140
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -234.374735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.374735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.374735 (E_RNA)
where:
Base-Base interactions energy: -147.943
where: short stacking energy: -47.051
Base-Backbone interact. energy: -0.091
local terms energy: -86.339919
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -168.663496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.663496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.663496 (E_RNA)
where:
Base-Base interactions energy: -95.312
where: short stacking energy: -50.278
Base-Backbone interact. energy: -1.136
local terms energy: -72.214784
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -371.522800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.522800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.522800 (E_RNA)
where:
Base-Base interactions energy: -258.828
where: short stacking energy: -116.507
Base-Backbone interact. energy: -0.096
local terms energy: -112.598497
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -33.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -353.053943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.053943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.053943 (E_RNA)
where:
Base-Base interactions energy: -236.563
where: short stacking energy: -95.275
Base-Backbone interact. energy: -2.082
local terms energy: -114.409450
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -26.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -334.311798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.311798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.311798 (E_RNA)
where:
Base-Base interactions energy: -220.585
where: short stacking energy: -99.349
Base-Backbone interact. energy: -0.538
local terms energy: -113.188979
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -33.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -308.024031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.024031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.024031 (E_RNA)
where:
Base-Base interactions energy: -207.598
where: short stacking energy: -88.649
Base-Backbone interact. energy: -0.196
local terms energy: -100.229413
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -24.898
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -299.948969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.948969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.948969 (E_RNA)
where:
Base-Base interactions energy: -193.175
where: short stacking energy: -73.643
Base-Backbone interact. energy: -1.038
local terms energy: -105.735598
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -24.261
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -24.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -249.504829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.504829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.504829 (E_RNA)
where:
Base-Base interactions energy: -165.319
where: short stacking energy: -65.679
Base-Backbone interact. energy: -0.244
local terms energy: -83.942045
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -23.932
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -9.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -247.948079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.948079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.948079 (E_RNA)
where:
Base-Base interactions energy: -168.113
where: short stacking energy: -68.063
Base-Backbone interact. energy: -0.059
local terms energy: -79.776576
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -199.917299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.917299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.917299 (E_RNA)
where:
Base-Base interactions energy: -130.061
where: short stacking energy: -62.677
Base-Backbone interact. energy: 1.448
local terms energy: -71.304259
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -6.986
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -9.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -236.747037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.747037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.747037 (E_RNA)
where:
Base-Base interactions energy: -159.198
where: short stacking energy: -74.266
Base-Backbone interact. energy: -0.076
local terms energy: -77.472482
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -197.539565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.539565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.539565 (E_RNA)
where:
Base-Base interactions energy: -114.579
where: short stacking energy: -52.997
Base-Backbone interact. energy: -0.011
local terms energy: -82.950415
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -370.054493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.054493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.054493 (E_RNA)
where:
Base-Base interactions energy: -260.603
where: short stacking energy: -109.669
Base-Backbone interact. energy: -0.287
local terms energy: -109.163882
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -31.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -335.227146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.227146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.227146 (E_RNA)
where:
Base-Base interactions energy: -224.605
where: short stacking energy: -90.325
Base-Backbone interact. energy: -1.238
local terms energy: -109.384538
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -24.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -306.561697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.561697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.561697 (E_RNA)
where:
Base-Base interactions energy: -206.824
where: short stacking energy: -90.931
Base-Backbone interact. energy: -0.199
local terms energy: -99.538734
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -23.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -306.146818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.146818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.146818 (E_RNA)
where:
Base-Base interactions energy: -207.908
where: short stacking energy: -88.687
Base-Backbone interact. energy: -0.444
local terms energy: -97.794515
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -281.827626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.827626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.827626 (E_RNA)
where:
Base-Base interactions energy: -180.391
where: short stacking energy: -88.878
Base-Backbone interact. energy: -0.096
local terms energy: -101.339800
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -21.095
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -20.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -276.507143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.507143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.507143 (E_RNA)
where:
Base-Base interactions energy: -181.876
where: short stacking energy: -90.518
Base-Backbone interact. energy: -0.234
local terms energy: -94.397265
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -21.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -257.496262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.496262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.496262 (E_RNA)
where:
Base-Base interactions energy: -164.335
where: short stacking energy: -69.754
Base-Backbone interact. energy: -1.074
local terms energy: -92.087509
where:
bonds (distance) C4'-P energy: -23.575
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -17.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -225.800181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.800181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.800181 (E_RNA)
where:
Base-Base interactions energy: -141.356
where: short stacking energy: -69.987
Base-Backbone interact. energy: -0.087
local terms energy: -84.357113
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -203.630096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.630096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.630096 (E_RNA)
where:
Base-Base interactions energy: -131.770
where: short stacking energy: -60.288
Base-Backbone interact. energy: 0.413
local terms energy: -72.272797
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -195.434530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.434530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.434530 (E_RNA)
where:
Base-Base interactions energy: -114.907
where: short stacking energy: -55.727
Base-Backbone interact. energy: -0.221
local terms energy: -80.306660
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -13.508
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: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -358.147018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.147018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.147018 (E_RNA)
where:
Base-Base interactions energy: -239.132
where: short stacking energy: -105.301
Base-Backbone interact. energy: 0.680
local terms energy: -119.695206
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -25.174
flat angles C4'-P-C4' energy: -23.625
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -31.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -352.909612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.909612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.909612 (E_RNA)
where:
Base-Base interactions energy: -242.522
where: short stacking energy: -108.591
Base-Backbone interact. energy: -0.173
local terms energy: -110.214276
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -29.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -319.017633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.017633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.017633 (E_RNA)
where:
Base-Base interactions energy: -210.972
where: short stacking energy: -100.516
Base-Backbone interact. energy: -0.328
local terms energy: -107.717763
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -22.056
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: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -311.567816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.567816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.567816 (E_RNA)
where:
Base-Base interactions energy: -211.838
where: short stacking energy: -84.873
Base-Backbone interact. energy: -0.455
local terms energy: -99.274782
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -27.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -286.223332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.223332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.223332 (E_RNA)
where:
Base-Base interactions energy: -180.289
where: short stacking energy: -96.109
Base-Backbone interact. energy: -0.732
local terms energy: -105.202659
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -31.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -264.057543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.057543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.057543 (E_RNA)
where:
Base-Base interactions energy: -170.819
where: short stacking energy: -86.625
Base-Backbone interact. energy: -0.024
local terms energy: -93.215152
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -27.516
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: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -261.345956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.345956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.345956 (E_RNA)
where:
Base-Base interactions energy: -171.410
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.070
local terms energy: -89.866265
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -246.769682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.769682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.769682 (E_RNA)
where:
Base-Base interactions energy: -161.013
where: short stacking energy: -77.421
Base-Backbone interact. energy: 0.571
local terms energy: -86.327123
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -20.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -194.924963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.924963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.924963 (E_RNA)
where:
Base-Base interactions energy: -112.897
where: short stacking energy: -55.392
Base-Backbone interact. energy: -0.237
local terms energy: -81.791675
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -19.083
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -195.434581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.434581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.434581 (E_RNA)
where:
Base-Base interactions energy: -117.443
where: short stacking energy: -63.318
Base-Backbone interact. energy: 2.149
local terms energy: -80.140684
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -18.648
tors. eta vs tors. theta energy: -11.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -347.815248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.815248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.815248 (E_RNA)
where:
Base-Base interactions energy: -234.536
where: short stacking energy: -104.089
Base-Backbone interact. energy: -1.698
local terms energy: -111.581723
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -20.581
tors. eta vs tors. theta energy: -26.986
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: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -335.730154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.730154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.730154 (E_RNA)
where:
Base-Base interactions energy: -228.735
where: short stacking energy: -102.341
Base-Backbone interact. energy: -0.334
local terms energy: -106.661213
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -29.837
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: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -335.705777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.705777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.705777 (E_RNA)
where:
Base-Base interactions energy: -231.992
where: short stacking energy: -91.258
Base-Backbone interact. energy: -0.177
local terms energy: -103.537044
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -25.611
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -33.083
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: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -306.798160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.798160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.798160 (E_RNA)
where:
Base-Base interactions energy: -200.697
where: short stacking energy: -86.830
Base-Backbone interact. energy: -0.861
local terms energy: -105.239667
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -23.088
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -23.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -273.336040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.336040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.336040 (E_RNA)
where:
Base-Base interactions energy: -168.948
where: short stacking energy: -82.741
Base-Backbone interact. energy: -0.049
local terms energy: -104.339721
where:
bonds (distance) C4'-P energy: -24.271
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -22.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -253.417904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.417904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.417904 (E_RNA)
where:
Base-Base interactions energy: -171.407
where: short stacking energy: -69.994
Base-Backbone interact. energy: -0.060
local terms energy: -81.950429
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -18.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -257.771380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.771380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.771380 (E_RNA)
where:
Base-Base interactions energy: -164.098
where: short stacking energy: -79.401
Base-Backbone interact. energy: 0.037
local terms energy: -93.710152
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -241.496280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.496280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.496280 (E_RNA)
where:
Base-Base interactions energy: -150.735
where: short stacking energy: -71.178
Base-Backbone interact. energy: 0.558
local terms energy: -91.319343
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -207.002281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.002281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.002281 (E_RNA)
where:
Base-Base interactions energy: -119.839
where: short stacking energy: -55.917
Base-Backbone interact. energy: -0.300
local terms energy: -86.863313
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -207.971741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.971741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.971741 (E_RNA)
where:
Base-Base interactions energy: -128.096
where: short stacking energy: -54.461
Base-Backbone interact. energy: -0.512
local terms energy: -79.363602
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -334.828394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.828394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.828394 (E_RNA)
where:
Base-Base interactions energy: -220.553
where: short stacking energy: -99.236
Base-Backbone interact. energy: 1.132
local terms energy: -115.406790
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -27.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -346.396871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.396871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.396871 (E_RNA)
where:
Base-Base interactions energy: -228.948
where: short stacking energy: -114.219
Base-Backbone interact. energy: -0.732
local terms energy: -116.716671
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -27.509
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -32.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -312.221796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.221796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.221796 (E_RNA)
where:
Base-Base interactions energy: -210.807
where: short stacking energy: -80.086
Base-Backbone interact. energy: -0.191
local terms energy: -101.223886
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -342.576262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.576262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.576262 (E_RNA)
where:
Base-Base interactions energy: -243.862
where: short stacking energy: -103.944
Base-Backbone interact. energy: 0.263
local terms energy: -98.977467
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -19.929
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -32.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -276.121918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.121918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.121918 (E_RNA)
where:
Base-Base interactions energy: -176.553
where: short stacking energy: -94.145
Base-Backbone interact. energy: -0.003
local terms energy: -99.565535
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -27.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -259.927308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.927308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.927308 (E_RNA)
where:
Base-Base interactions energy: -162.842
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.772
local terms energy: -96.314051
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -266.650560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.650560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.650560 (E_RNA)
where:
Base-Base interactions energy: -177.024
where: short stacking energy: -76.792
Base-Backbone interact. energy: -0.895
local terms energy: -88.731495
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -13.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -250.790329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.790329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.790329 (E_RNA)
where:
Base-Base interactions energy: -154.220
where: short stacking energy: -81.412
Base-Backbone interact. energy: -0.089
local terms energy: -96.481536
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -242.326605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.326605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.326605 (E_RNA)
where:
Base-Base interactions energy: -150.130
where: short stacking energy: -69.271
Base-Backbone interact. energy: 0.359
local terms energy: -92.555660
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -205.710264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.710264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.710264 (E_RNA)
where:
Base-Base interactions energy: -125.264
where: short stacking energy: -44.232
Base-Backbone interact. energy: -0.193
local terms energy: -80.252765
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -9.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -340.443682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.443682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.443682 (E_RNA)
where:
Base-Base interactions energy: -228.850
where: short stacking energy: -107.217
Base-Backbone interact. energy: -0.205
local terms energy: -111.388013
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -25.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -345.398816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.398816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.398816 (E_RNA)
where:
Base-Base interactions energy: -233.539
where: short stacking energy: -92.913
Base-Backbone interact. energy: -1.948
local terms energy: -109.912622
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -25.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -311.014046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.014046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.014046 (E_RNA)
where:
Base-Base interactions energy: -211.906
where: short stacking energy: -93.543
Base-Backbone interact. energy: -0.126
local terms energy: -98.981396
where:
bonds (distance) C4'-P energy: -23.438
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -22.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -328.931208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.931208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.931208 (E_RNA)
where:
Base-Base interactions energy: -228.726
where: short stacking energy: -98.412
Base-Backbone interact. energy: -0.076
local terms energy: -100.129425
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -26.431
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -31.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -268.766577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.766577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.766577 (E_RNA)
where:
Base-Base interactions energy: -174.458
where: short stacking energy: -76.825
Base-Backbone interact. energy: -0.559
local terms energy: -93.749594
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -253.028568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.028568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.028568 (E_RNA)
where:
Base-Base interactions energy: -164.305
where: short stacking energy: -69.676
Base-Backbone interact. energy: 0.924
local terms energy: -89.647918
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -22.294
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -257.984660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.984660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.984660 (E_RNA)
where:
Base-Base interactions energy: -171.361
where: short stacking energy: -82.723
Base-Backbone interact. energy: -0.025
local terms energy: -86.599274
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -238.193791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.193791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.193791 (E_RNA)
where:
Base-Base interactions energy: -157.369
where: short stacking energy: -73.883
Base-Backbone interact. energy: -0.035
local terms energy: -80.789602
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -233.268210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.268210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.268210 (E_RNA)
where:
Base-Base interactions energy: -157.184
where: short stacking energy: -69.837
Base-Backbone interact. energy: 1.008
local terms energy: -77.092345
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -14.904
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: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -206.692291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.692291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.692291 (E_RNA)
where:
Base-Base interactions energy: -126.090
where: short stacking energy: -49.043
Base-Backbone interact. energy: -0.286
local terms energy: -80.316507
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -12.003
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: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -343.537702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.537702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.537702 (E_RNA)
where:
Base-Base interactions energy: -227.750
where: short stacking energy: -106.442
Base-Backbone interact. energy: -0.154
local terms energy: -115.633310
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -24.301
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -26.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -349.482750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.482750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.482750 (E_RNA)
where:
Base-Base interactions energy: -235.339
where: short stacking energy: -84.754
Base-Backbone interact. energy: -0.516
local terms energy: -113.627963
where:
bonds (distance) C4'-P energy: -24.780
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -31.583
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: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -343.652548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.652548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.652548 (E_RNA)
where:
Base-Base interactions energy: -228.651
where: short stacking energy: -99.103
Base-Backbone interact. energy: -0.232
local terms energy: -114.769630
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -34.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -316.288560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.288560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.288560 (E_RNA)
where:
Base-Base interactions energy: -213.917
where: short stacking energy: -77.230
Base-Backbone interact. energy: -0.748
local terms energy: -101.623416
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -22.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -284.311786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.311786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.311786 (E_RNA)
where:
Base-Base interactions energy: -178.350
where: short stacking energy: -82.238
Base-Backbone interact. energy: -0.194
local terms energy: -105.768394
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: -24.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -261.928796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.928796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.928796 (E_RNA)
where:
Base-Base interactions energy: -159.499
where: short stacking energy: -79.297
Base-Backbone interact. energy: -0.477
local terms energy: -101.952499
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -252.591639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.591639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.591639 (E_RNA)
where:
Base-Base interactions energy: -165.332
where: short stacking energy: -73.578
Base-Backbone interact. energy: -0.464
local terms energy: -86.794899
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -252.705596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.705596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.705596 (E_RNA)
where:
Base-Base interactions energy: -158.645
where: short stacking energy: -70.009
Base-Backbone interact. energy: -0.392
local terms energy: -93.668986
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -198.384517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.384517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.384517 (E_RNA)
where:
Base-Base interactions energy: -109.771
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.493
local terms energy: -88.119898
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -22.300
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -217.829123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.829123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.829123 (E_RNA)
where:
Base-Base interactions energy: -144.630
where: short stacking energy: -60.797
Base-Backbone interact. energy: -0.306
local terms energy: -72.892576
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -336.811463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.811463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.811463 (E_RNA)
where:
Base-Base interactions energy: -228.146
where: short stacking energy: -90.658
Base-Backbone interact. energy: 0.265
local terms energy: -108.930766
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -28.361
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: 2, replica: 6
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -338.150912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.150912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.150912 (E_RNA)
where:
Base-Base interactions energy: -229.502
where: short stacking energy: -86.389
Base-Backbone interact. energy: -0.771
local terms energy: -107.878725
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -28.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -350.331798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.331798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.331798 (E_RNA)
where:
Base-Base interactions energy: -230.773
where: short stacking energy: -101.781
Base-Backbone interact. energy: -0.442
local terms energy: -119.117122
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -30.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -311.213330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.213330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.213330 (E_RNA)
where:
Base-Base interactions energy: -205.834
where: short stacking energy: -89.695
Base-Backbone interact. energy: -0.219
local terms energy: -105.160118
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -30.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -254.733499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.733499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.733499 (E_RNA)
where:
Base-Base interactions energy: -155.766
where: short stacking energy: -68.053
Base-Backbone interact. energy: -0.249
local terms energy: -98.718700
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -270.478671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.478671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.478671 (E_RNA)
where:
Base-Base interactions energy: -172.634
where: short stacking energy: -72.484
Base-Backbone interact. energy: -0.124
local terms energy: -97.720572
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -18.254
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: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -267.879282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.879282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.879282 (E_RNA)
where:
Base-Base interactions energy: -171.322
where: short stacking energy: -61.525
Base-Backbone interact. energy: -1.705
local terms energy: -94.852008
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -221.742568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.742568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.742568 (E_RNA)
where:
Base-Base interactions energy: -134.040
where: short stacking energy: -65.604
Base-Backbone interact. energy: -0.518
local terms energy: -87.184404
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -244.896156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.896156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.896156 (E_RNA)
where:
Base-Base interactions energy: -149.379
where: short stacking energy: -70.427
Base-Backbone interact. energy: -0.055
local terms energy: -95.461564
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -222.905182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.905182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.905182 (E_RNA)
where:
Base-Base interactions energy: -132.380
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.203
local terms energy: -90.321703
where:
bonds (distance) C4'-P energy: -24.354
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -19.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -346.571702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.571702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.571702 (E_RNA)
where:
Base-Base interactions energy: -233.096
where: short stacking energy: -98.833
Base-Backbone interact. energy: -0.293
local terms energy: -113.182629
where:
bonds (distance) C4'-P energy: -24.471
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -25.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -347.488487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.488487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.488487 (E_RNA)
where:
Base-Base interactions energy: -234.104
where: short stacking energy: -102.480
Base-Backbone interact. energy: -0.849
local terms energy: -112.535920
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: -26.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -355.932100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.932100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.932100 (E_RNA)
where:
Base-Base interactions energy: -249.045
where: short stacking energy: -98.149
Base-Backbone interact. energy: -0.010
local terms energy: -106.876820
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -31.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -310.664655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.664655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.664655 (E_RNA)
where:
Base-Base interactions energy: -204.130
where: short stacking energy: -92.402
Base-Backbone interact. energy: -0.455
local terms energy: -106.079884
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -278.633509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.633509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.633509 (E_RNA)
where:
Base-Base interactions energy: -183.087
where: short stacking energy: -77.308
Base-Backbone interact. energy: -0.215
local terms energy: -95.331412
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -251.455697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.455697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.455697 (E_RNA)
where:
Base-Base interactions energy: -156.617
where: short stacking energy: -74.832
Base-Backbone interact. energy: -0.804
local terms energy: -94.034559
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -23.561
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -14.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -258.975336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.975336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.975336 (E_RNA)
where:
Base-Base interactions energy: -169.658
where: short stacking energy: -68.876
Base-Backbone interact. energy: -0.358
local terms energy: -88.959642
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -205.925946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.925946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.925946 (E_RNA)
where:
Base-Base interactions energy: -130.863
where: short stacking energy: -70.470
Base-Backbone interact. energy: -0.009
local terms energy: -75.054330
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -256.263864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.263864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.263864 (E_RNA)
where:
Base-Base interactions energy: -151.188
where: short stacking energy: -72.116
Base-Backbone interact. energy: -0.100
local terms energy: -104.975727
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -23.799
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -26.142
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: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -228.526858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.526858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.526858 (E_RNA)
where:
Base-Base interactions energy: -145.507
where: short stacking energy: -66.974
Base-Backbone interact. energy: -1.074
local terms energy: -81.945209
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -10.186
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: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -360.530375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.530375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.530375 (E_RNA)
where:
Base-Base interactions energy: -243.699
where: short stacking energy: -93.733
Base-Backbone interact. energy: -0.526
local terms energy: -116.304934
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -24.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -359.914052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.914052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.914052 (E_RNA)
where:
Base-Base interactions energy: -241.855
where: short stacking energy: -108.273
Base-Backbone interact. energy: -0.094
local terms energy: -117.965862
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -30.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -349.746257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.746257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.746257 (E_RNA)
where:
Base-Base interactions energy: -247.076
where: short stacking energy: -105.723
Base-Backbone interact. energy: -0.094
local terms energy: -102.576738
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -19.177
tors. eta vs tors. theta energy: -28.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -315.285178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.285178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.285178 (E_RNA)
where:
Base-Base interactions energy: -214.460
where: short stacking energy: -85.558
Base-Backbone interact. energy: 5.071
local terms energy: -105.896208
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -24.742
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -22.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -275.723527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.723527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.723527 (E_RNA)
where:
Base-Base interactions energy: -180.725
where: short stacking energy: -75.564
Base-Backbone interact. energy: -0.927
local terms energy: -94.071263
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -273.520026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.520026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.520026 (E_RNA)
where:
Base-Base interactions energy: -174.762
where: short stacking energy: -87.078
Base-Backbone interact. energy: -0.576
local terms energy: -98.182079
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -259.148520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.148520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.148520 (E_RNA)
where:
Base-Base interactions energy: -173.188
where: short stacking energy: -82.824
Base-Backbone interact. energy: -0.256
local terms energy: -85.704702
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -250.912519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.912519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.912519 (E_RNA)
where:
Base-Base interactions energy: -153.895
where: short stacking energy: -69.801
Base-Backbone interact. energy: -0.174
local terms energy: -96.843637
where:
bonds (distance) C4'-P energy: -25.231
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -198.369850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.369850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.369850 (E_RNA)
where:
Base-Base interactions energy: -122.092
where: short stacking energy: -63.084
Base-Backbone interact. energy: -0.812
local terms energy: -75.465607
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -24.455
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -218.711825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.711825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.711825 (E_RNA)
where:
Base-Base interactions energy: -140.168
where: short stacking energy: -59.610
Base-Backbone interact. energy: 0.262
local terms energy: -78.805419
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -369.041262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.041262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.041262 (E_RNA)
where:
Base-Base interactions energy: -252.770
where: short stacking energy: -106.175
Base-Backbone interact. energy: -0.010
local terms energy: -116.261242
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -30.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -345.785562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.785562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.785562 (E_RNA)
where:
Base-Base interactions energy: -244.515
where: short stacking energy: -104.294
Base-Backbone interact. energy: -1.012
local terms energy: -100.258416
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -26.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -345.756559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.756559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.756559 (E_RNA)
where:
Base-Base interactions energy: -246.522
where: short stacking energy: -91.038
Base-Backbone interact. energy: -1.663
local terms energy: -97.572406
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -25.909
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -314.938306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.938306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.938306 (E_RNA)
where:
Base-Base interactions energy: -214.499
where: short stacking energy: -88.047
Base-Backbone interact. energy: -1.011
local terms energy: -99.429180
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -307.288654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.288654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.288654 (E_RNA)
where:
Base-Base interactions energy: -211.811
where: short stacking energy: -93.112
Base-Backbone interact. energy: -0.132
local terms energy: -95.346259
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -24.105
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -256.726104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.726104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.726104 (E_RNA)
where:
Base-Base interactions energy: -169.330
where: short stacking energy: -70.795
Base-Backbone interact. energy: -0.096
local terms energy: -87.300602
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -10.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -264.702854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.702854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.702854 (E_RNA)
where:
Base-Base interactions energy: -167.050
where: short stacking energy: -79.717
Base-Backbone interact. energy: -0.242
local terms energy: -97.410540
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -242.973326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.973326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.973326 (E_RNA)
where:
Base-Base interactions energy: -157.008
where: short stacking energy: -67.778
Base-Backbone interact. energy: -0.695
local terms energy: -85.270831
where:
bonds (distance) C4'-P energy: -25.676
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -248.210277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.210277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.210277 (E_RNA)
where:
Base-Base interactions energy: -148.833
where: short stacking energy: -73.792
Base-Backbone interact. energy: -1.249
local terms energy: -98.128677
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -198.555572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.555572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.555572 (E_RNA)
where:
Base-Base interactions energy: -116.366
where: short stacking energy: -47.413
Base-Backbone interact. energy: -0.484
local terms energy: -81.705537
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -8.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -366.663739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.663739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.663739 (E_RNA)
where:
Base-Base interactions energy: -250.285
where: short stacking energy: -105.955
Base-Backbone interact. energy: -0.214
local terms energy: -116.165155
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -32.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -345.509285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.509285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.509285 (E_RNA)
where:
Base-Base interactions energy: -241.545
where: short stacking energy: -95.241
Base-Backbone interact. energy: 0.246
local terms energy: -104.209828
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -26.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -337.126881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.126881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.126881 (E_RNA)
where:
Base-Base interactions energy: -237.051
where: short stacking energy: -85.844
Base-Backbone interact. energy: -0.145
local terms energy: -99.931072
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -26.624
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -20.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -292.636944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.636944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.636944 (E_RNA)
where:
Base-Base interactions energy: -184.935
where: short stacking energy: -94.056
Base-Backbone interact. energy: 1.029
local terms energy: -108.730820
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -23.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -258.296221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.296221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.296221 (E_RNA)
where:
Base-Base interactions energy: -161.443
where: short stacking energy: -83.037
Base-Backbone interact. energy: -0.055
local terms energy: -96.797645
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -27.454
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -268.126938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.126938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.126938 (E_RNA)
where:
Base-Base interactions energy: -162.055
where: short stacking energy: -80.390
Base-Backbone interact. energy: -0.075
local terms energy: -105.997142
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -26.833
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -263.486449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.486449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.486449 (E_RNA)
where:
Base-Base interactions energy: -174.755
where: short stacking energy: -75.091
Base-Backbone interact. energy: -0.467
local terms energy: -88.264507
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -266.744144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.744144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.744144 (E_RNA)
where:
Base-Base interactions energy: -172.964
where: short stacking energy: -79.810
Base-Backbone interact. energy: -0.028
local terms energy: -93.752678
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -243.545052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.545052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.545052 (E_RNA)
where:
Base-Base interactions energy: -164.221
where: short stacking energy: -68.907
Base-Backbone interact. energy: 1.155
local terms energy: -80.479277
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -10.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -206.800184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.800184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.800184 (E_RNA)
where:
Base-Base interactions energy: -124.624
where: short stacking energy: -61.299
Base-Backbone interact. energy: -0.023
local terms energy: -82.153698
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -375.933963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.933963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.933963 (E_RNA)
where:
Base-Base interactions energy: -251.134
where: short stacking energy: -107.938
Base-Backbone interact. energy: -0.065
local terms energy: -124.734836
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -23.463
flat angles C4'-P-C4' energy: -27.290
flat angles P-C4'-P energy: -19.596
tors. eta vs tors. theta energy: -32.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -340.295900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.295900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.295900 (E_RNA)
where:
Base-Base interactions energy: -231.283
where: short stacking energy: -96.763
Base-Backbone interact. energy: -1.826
local terms energy: -107.186599
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -27.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -342.996366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.996366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.996366 (E_RNA)
where:
Base-Base interactions energy: -237.148
where: short stacking energy: -100.569
Base-Backbone interact. energy: -0.841
local terms energy: -105.008242
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -23.852
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -29.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -290.907552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.907552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.907552 (E_RNA)
where:
Base-Base interactions energy: -175.873
where: short stacking energy: -81.075
Base-Backbone interact. energy: -1.087
local terms energy: -113.947404
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -25.223
flat angles C4'-P-C4' energy: -26.401
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -278.448270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.448270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.448270 (E_RNA)
where:
Base-Base interactions energy: -176.324
where: short stacking energy: -88.702
Base-Backbone interact. energy: -0.044
local terms energy: -102.080689
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -21.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -267.078612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.078612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.078612 (E_RNA)
where:
Base-Base interactions energy: -168.307
where: short stacking energy: -74.010
Base-Backbone interact. energy: -0.091
local terms energy: -98.680271
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -253.090899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.090899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.090899 (E_RNA)
where:
Base-Base interactions energy: -166.124
where: short stacking energy: -81.578
Base-Backbone interact. energy: -0.631
local terms energy: -86.335019
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -211.046554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.046554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.046554 (E_RNA)
where:
Base-Base interactions energy: -129.539
where: short stacking energy: -54.891
Base-Backbone interact. energy: 0.023
local terms energy: -81.530729
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -11.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -240.430147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.430147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.430147 (E_RNA)
where:
Base-Base interactions energy: -151.019
where: short stacking energy: -61.064
Base-Backbone interact. energy: -0.041
local terms energy: -89.370131
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -172.332775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.332775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.332775 (E_RNA)
where:
Base-Base interactions energy: -92.664
where: short stacking energy: -49.807
Base-Backbone interact. energy: 0.596
local terms energy: -80.264874
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -373.161583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.161583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.161583 (E_RNA)
where:
Base-Base interactions energy: -251.703
where: short stacking energy: -106.669
Base-Backbone interact. energy: -0.397
local terms energy: -121.061537
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -22.769
flat angles C4'-P-C4' energy: -28.315
flat angles P-C4'-P energy: -19.492
tors. eta vs tors. theta energy: -31.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -343.430078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.430078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.430078 (E_RNA)
where:
Base-Base interactions energy: -244.168
where: short stacking energy: -106.664
Base-Backbone interact. energy: -0.371
local terms energy: -98.891298
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -23.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -323.978438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.978438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.978438 (E_RNA)
where:
Base-Base interactions energy: -221.229
where: short stacking energy: -97.485
Base-Backbone interact. energy: -1.986
local terms energy: -100.763900
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -23.567
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: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -303.351593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.351593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.351593 (E_RNA)
where:
Base-Base interactions energy: -209.130
where: short stacking energy: -96.016
Base-Backbone interact. energy: -0.826
local terms energy: -93.394938
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -268.778287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.778287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.778287 (E_RNA)
where:
Base-Base interactions energy: -168.807
where: short stacking energy: -87.558
Base-Backbone interact. energy: -0.065
local terms energy: -99.906624
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -22.663
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: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -264.696657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.696657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.696657 (E_RNA)
where:
Base-Base interactions energy: -163.090
where: short stacking energy: -70.591
Base-Backbone interact. energy: -0.376
local terms energy: -101.230588
where:
bonds (distance) C4'-P energy: -23.353
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -25.094
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -12.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -264.770019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.770019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.770019 (E_RNA)
where:
Base-Base interactions energy: -163.704
where: short stacking energy: -84.049
Base-Backbone interact. energy: -0.118
local terms energy: -100.948105
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -250.241253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.241253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.241253 (E_RNA)
where:
Base-Base interactions energy: -169.962
where: short stacking energy: -75.655
Base-Backbone interact. energy: -0.060
local terms energy: -80.218990
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -212.038872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.038872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.038872 (E_RNA)
where:
Base-Base interactions energy: -135.944
where: short stacking energy: -55.559
Base-Backbone interact. energy: -0.822
local terms energy: -75.272956
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -190.297365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.297365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.297365 (E_RNA)
where:
Base-Base interactions energy: -108.923
where: short stacking energy: -50.028
Base-Backbone interact. energy: 0.515
local terms energy: -81.888845
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -6.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -370.144153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.144153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.144153 (E_RNA)
where:
Base-Base interactions energy: -247.993
where: short stacking energy: -106.841
Base-Backbone interact. energy: -0.011
local terms energy: -122.139663
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -26.128
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -33.391
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: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -341.938781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.938781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.938781 (E_RNA)
where:
Base-Base interactions energy: -228.220
where: short stacking energy: -107.614
Base-Backbone interact. energy: -0.703
local terms energy: -113.015910
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -25.683
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -31.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -348.647921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.647921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.647921 (E_RNA)
where:
Base-Base interactions energy: -236.418
where: short stacking energy: -88.447
Base-Backbone interact. energy: -2.349
local terms energy: -109.881553
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -18.253
tors. eta vs tors. theta energy: -26.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -295.009015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.009015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.009015 (E_RNA)
where:
Base-Base interactions energy: -189.180
where: short stacking energy: -83.854
Base-Backbone interact. energy: -0.750
local terms energy: -105.079368
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -24.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -259.784938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.784938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.784938 (E_RNA)
where:
Base-Base interactions energy: -162.834
where: short stacking energy: -71.031
Base-Backbone interact. energy: -0.615
local terms energy: -96.335255
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -13.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -261.362872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.362872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.362872 (E_RNA)
where:
Base-Base interactions energy: -171.252
where: short stacking energy: -81.096
Base-Backbone interact. energy: 0.954
local terms energy: -91.064640
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -23.667
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -22.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -264.864514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.864514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.864514 (E_RNA)
where:
Base-Base interactions energy: -165.418
where: short stacking energy: -79.118
Base-Backbone interact. energy: -0.558
local terms energy: -98.888314
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -23.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -231.812470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.812470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.812470 (E_RNA)
where:
Base-Base interactions energy: -148.411
where: short stacking energy: -61.881
Base-Backbone interact. energy: -0.273
local terms energy: -83.128168
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -198.884704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.884704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.884704 (E_RNA)
where:
Base-Base interactions energy: -131.368
where: short stacking energy: -68.056
Base-Backbone interact. energy: 0.172
local terms energy: -67.688324
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -198.613293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.613293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.613293 (E_RNA)
where:
Base-Base interactions energy: -121.967
where: short stacking energy: -60.968
Base-Backbone interact. energy: 1.199
local terms energy: -77.845231
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -368.020711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.020711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.020711 (E_RNA)
where:
Base-Base interactions energy: -246.095
where: short stacking energy: -108.971
Base-Backbone interact. energy: -0.651
local terms energy: -121.274488
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -25.856
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -34.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -339.033250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.033250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.033250 (E_RNA)
where:
Base-Base interactions energy: -225.350
where: short stacking energy: -87.796
Base-Backbone interact. energy: -1.789
local terms energy: -111.894160
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -24.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -335.918584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.918584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.918584 (E_RNA)
where:
Base-Base interactions energy: -219.311
where: short stacking energy: -105.536
Base-Backbone interact. energy: -0.562
local terms energy: -116.045455
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -23.689
flat angles P-C4'-P energy: -20.544
tors. eta vs tors. theta energy: -30.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -301.507853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.507853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.507853 (E_RNA)
where:
Base-Base interactions energy: -190.530
where: short stacking energy: -100.716
Base-Backbone interact. energy: -0.198
local terms energy: -110.779870
where:
bonds (distance) C4'-P energy: -26.392
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -26.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -257.134217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.134217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.134217 (E_RNA)
where:
Base-Base interactions energy: -158.268
where: short stacking energy: -74.113
Base-Backbone interact. energy: -0.113
local terms energy: -98.753567
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -258.403305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.403305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.403305 (E_RNA)
where:
Base-Base interactions energy: -163.970
where: short stacking energy: -80.615
Base-Backbone interact. energy: -0.394
local terms energy: -94.038852
where:
bonds (distance) C4'-P energy: -26.930
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -261.824074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.824074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.824074 (E_RNA)
where:
Base-Base interactions energy: -168.117
where: short stacking energy: -65.793
Base-Backbone interact. energy: -0.329
local terms energy: -93.377532
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -18.984
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -226.253244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.253244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.253244 (E_RNA)
where:
Base-Base interactions energy: -148.141
where: short stacking energy: -67.607
Base-Backbone interact. energy: -0.281
local terms energy: -77.831298
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -23.036
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -226.605014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.605014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.605014 (E_RNA)
where:
Base-Base interactions energy: -137.118
where: short stacking energy: -63.644
Base-Backbone interact. energy: -1.113
local terms energy: -88.373706
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -185.353949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.353949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.353949 (E_RNA)
where:
Base-Base interactions energy: -103.686
where: short stacking energy: -52.780
Base-Backbone interact. energy: -0.875
local terms energy: -80.792366
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -362.614772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.614772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.614772 (E_RNA)
where:
Base-Base interactions energy: -242.959
where: short stacking energy: -105.753
Base-Backbone interact. energy: -0.054
local terms energy: -119.601927
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -24.422
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -34.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -348.301704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.301704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.301704 (E_RNA)
where:
Base-Base interactions energy: -237.357
where: short stacking energy: -90.135
Base-Backbone interact. energy: -2.025
local terms energy: -108.919921
where:
bonds (distance) C4'-P energy: -22.654
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -24.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -332.965240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.965240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.965240 (E_RNA)
where:
Base-Base interactions energy: -217.901
where: short stacking energy: -91.243
Base-Backbone interact. energy: -1.092
local terms energy: -113.971970
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -24.133
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: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -293.558260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.558260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.558260 (E_RNA)
where:
Base-Base interactions energy: -189.980
where: short stacking energy: -88.911
Base-Backbone interact. energy: 0.279
local terms energy: -103.857847
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -26.384
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -269.761803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.761803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.761803 (E_RNA)
where:
Base-Base interactions energy: -178.184
where: short stacking energy: -93.929
Base-Backbone interact. energy: 3.051
local terms energy: -94.628628
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -26.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -266.162387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.162387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.162387 (E_RNA)
where:
Base-Base interactions energy: -168.911
where: short stacking energy: -81.906
Base-Backbone interact. energy: -0.578
local terms energy: -96.673102
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -274.343011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.343011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.343011 (E_RNA)
where:
Base-Base interactions energy: -177.650
where: short stacking energy: -74.758
Base-Backbone interact. energy: -0.246
local terms energy: -96.447424
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -227.443534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.443534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.443534 (E_RNA)
where:
Base-Base interactions energy: -132.125
where: short stacking energy: -74.010
Base-Backbone interact. energy: -0.155
local terms energy: -95.163147
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -25.358
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -208.880028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.880028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.880028 (E_RNA)
where:
Base-Base interactions energy: -130.793
where: short stacking energy: -59.479
Base-Backbone interact. energy: -0.769
local terms energy: -77.317739
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -24.142
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -183.191191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.191191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.191191 (E_RNA)
where:
Base-Base interactions energy: -106.375
where: short stacking energy: -51.502
Base-Backbone interact. energy: 0.353
local terms energy: -77.169618
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -370.619008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.619008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.619008 (E_RNA)
where:
Base-Base interactions energy: -247.986
where: short stacking energy: -112.133
Base-Backbone interact. energy: -0.141
local terms energy: -122.491425
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -26.134
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -35.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -335.387346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.387346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.387346 (E_RNA)
where:
Base-Base interactions energy: -226.304
where: short stacking energy: -100.029
Base-Backbone interact. energy: -0.300
local terms energy: -108.783997
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -25.335
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -24.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -359.324855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.324855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.324855 (E_RNA)
where:
Base-Base interactions energy: -248.711
where: short stacking energy: -103.467
Base-Backbone interact. energy: -0.824
local terms energy: -109.790201
where:
bonds (distance) C4'-P energy: -25.572
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -26.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -287.584332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.584332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.584332 (E_RNA)
where:
Base-Base interactions energy: -178.563
where: short stacking energy: -93.329
Base-Backbone interact. energy: 2.419
local terms energy: -111.440541
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -26.159
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -258.561952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.561952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.561952 (E_RNA)
where:
Base-Base interactions energy: -165.884
where: short stacking energy: -69.189
Base-Backbone interact. energy: -0.712
local terms energy: -91.966071
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -271.730563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.730563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.730563 (E_RNA)
where:
Base-Base interactions energy: -170.771
where: short stacking energy: -77.499
Base-Backbone interact. energy: -0.278
local terms energy: -100.681430
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -249.583442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.583442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.583442 (E_RNA)
where:
Base-Base interactions energy: -158.427
where: short stacking energy: -68.155
Base-Backbone interact. energy: -0.395
local terms energy: -90.761941
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -25.547
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -201.617779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.617779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.617779 (E_RNA)
where:
Base-Base interactions energy: -121.968
where: short stacking energy: -56.362
Base-Backbone interact. energy: 4.617
local terms energy: -84.266667
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -5.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -221.652366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.652366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.652366 (E_RNA)
where:
Base-Base interactions energy: -135.538
where: short stacking energy: -64.792
Base-Backbone interact. energy: 0.387
local terms energy: -86.501061
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -19.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -189.744618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.744618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.744618 (E_RNA)
where:
Base-Base interactions energy: -114.126
where: short stacking energy: -55.566
Base-Backbone interact. energy: -0.305
local terms energy: -75.313427
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -366.075889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.075889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.075889 (E_RNA)
where:
Base-Base interactions energy: -251.562
where: short stacking energy: -106.923
Base-Backbone interact. energy: -0.537
local terms energy: -113.976483
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -32.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -326.658453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.658453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.658453 (E_RNA)
where:
Base-Base interactions energy: -213.695
where: short stacking energy: -93.618
Base-Backbone interact. energy: 0.022
local terms energy: -112.984847
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -27.691
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -297.004137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.004137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.004137 (E_RNA)
where:
Base-Base interactions energy: -193.015
where: short stacking energy: -80.394
Base-Backbone interact. energy: -0.268
local terms energy: -103.721396
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -346.153443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.153443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.153443 (E_RNA)
where:
Base-Base interactions energy: -243.723
where: short stacking energy: -99.531
Base-Backbone interact. energy: -0.570
local terms energy: -101.860996
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -26.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -293.564735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.564735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.564735 (E_RNA)
where:
Base-Base interactions energy: -184.106
where: short stacking energy: -83.394
Base-Backbone interact. energy: 0.400
local terms energy: -109.858761
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -28.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -269.456692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.456692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.456692 (E_RNA)
where:
Base-Base interactions energy: -174.461
where: short stacking energy: -91.762
Base-Backbone interact. energy: -0.631
local terms energy: -94.364443
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -21.948
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: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -249.454405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.454405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.454405 (E_RNA)
where:
Base-Base interactions energy: -155.686
where: short stacking energy: -70.666
Base-Backbone interact. energy: -0.252
local terms energy: -93.516270
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -23.650
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -11.569
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: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -219.346546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.346546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.346546 (E_RNA)
where:
Base-Base interactions energy: -129.391
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.122
local terms energy: -89.833508
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -216.427910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.427910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.427910 (E_RNA)
where:
Base-Base interactions energy: -120.769
where: short stacking energy: -66.640
Base-Backbone interact. energy: -0.133
local terms energy: -95.525534
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -16.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -219.632133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.632133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.632133 (E_RNA)
where:
Base-Base interactions energy: -137.690
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.014
local terms energy: -81.928656
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -370.428276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.428276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.428276 (E_RNA)
where:
Base-Base interactions energy: -243.006
where: short stacking energy: -109.644
Base-Backbone interact. energy: -0.747
local terms energy: -126.675612
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -24.811
flat angles C4'-P-C4' energy: -26.759
flat angles P-C4'-P energy: -17.264
tors. eta vs tors. theta energy: -34.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -360.751337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.751337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.751337 (E_RNA)
where:
Base-Base interactions energy: -252.734
where: short stacking energy: -105.624
Base-Backbone interact. energy: -1.413
local terms energy: -106.604389
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -23.544
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -26.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -304.908505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.908505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.908505 (E_RNA)
where:
Base-Base interactions energy: -201.253
where: short stacking energy: -94.016
Base-Backbone interact. energy: -0.852
local terms energy: -102.803460
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -27.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -327.586554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.586554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.586554 (E_RNA)
where:
Base-Base interactions energy: -226.633
where: short stacking energy: -95.399
Base-Backbone interact. energy: -0.648
local terms energy: -100.306258
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -26.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -263.024294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.024294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.024294 (E_RNA)
where:
Base-Base interactions energy: -163.443
where: short stacking energy: -68.123
Base-Backbone interact. energy: -1.730
local terms energy: -97.851362
where:
bonds (distance) C4'-P energy: -21.929
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -256.905180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.905180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.905180 (E_RNA)
where:
Base-Base interactions energy: -170.117
where: short stacking energy: -81.108
Base-Backbone interact. energy: -0.613
local terms energy: -86.175346
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -259.183002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.183002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.183002 (E_RNA)
where:
Base-Base interactions energy: -167.113
where: short stacking energy: -72.228
Base-Backbone interact. energy: -1.049
local terms energy: -91.020843
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -254.193268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.193268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.193268 (E_RNA)
where:
Base-Base interactions energy: -162.838
where: short stacking energy: -78.253
Base-Backbone interact. energy: -0.426
local terms energy: -90.929995
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -198.674020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.674020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.674020 (E_RNA)
where:
Base-Base interactions energy: -119.631
where: short stacking energy: -64.938
Base-Backbone interact. energy: -0.101
local terms energy: -78.941050
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -12.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -171.767007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.767007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.767007 (E_RNA)
where:
Base-Base interactions energy: -102.977
where: short stacking energy: -38.198
Base-Backbone interact. energy: -0.210
local terms energy: -68.580323
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -354.422791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.422791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.422791 (E_RNA)
where:
Base-Base interactions energy: -238.249
where: short stacking energy: -101.348
Base-Backbone interact. energy: -0.862
local terms energy: -115.311424
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -23.664
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -19.084
tors. eta vs tors. theta energy: -28.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -363.129956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.129956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.129956 (E_RNA)
where:
Base-Base interactions energy: -246.231
where: short stacking energy: -106.868
Base-Backbone interact. energy: -0.484
local terms energy: -116.414474
where:
bonds (distance) C4'-P energy: -22.884
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -35.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -345.114000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.114000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.114000 (E_RNA)
where:
Base-Base interactions energy: -237.581
where: short stacking energy: -89.608
Base-Backbone interact. energy: -2.100
local terms energy: -105.433043
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -295.866797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.866797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.866797 (E_RNA)
where:
Base-Base interactions energy: -198.216
where: short stacking energy: -84.596
Base-Backbone interact. energy: -1.680
local terms energy: -95.970447
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -267.567661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.567661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.567661 (E_RNA)
where:
Base-Base interactions energy: -165.094
where: short stacking energy: -77.883
Base-Backbone interact. energy: 0.738
local terms energy: -103.211827
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -22.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -259.849737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.849737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.849737 (E_RNA)
where:
Base-Base interactions energy: -162.035
where: short stacking energy: -77.878
Base-Backbone interact. energy: -0.382
local terms energy: -97.433243
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -19.851
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: 390
Temperature: 1.200000
Total energy: -266.741571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.741571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.741571 (E_RNA)
where:
Base-Base interactions energy: -170.759
where: short stacking energy: -71.569
Base-Backbone interact. energy: -1.171
local terms energy: -94.811868
where:
bonds (distance) C4'-P energy: -23.285
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -253.042570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.042570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.042570 (E_RNA)
where:
Base-Base interactions energy: -171.735
where: short stacking energy: -82.056
Base-Backbone interact. energy: -0.058
local terms energy: -81.249700
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -198.348747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.348747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.348747 (E_RNA)
where:
Base-Base interactions energy: -116.848
where: short stacking energy: -57.552
Base-Backbone interact. energy: -0.307
local terms energy: -81.194135
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -192.077115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.077115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.077115 (E_RNA)
where:
Base-Base interactions energy: -116.535
where: short stacking energy: -51.211
Base-Backbone interact. energy: -0.115
local terms energy: -75.426561
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -11.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -350.238185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.238185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.238185 (E_RNA)
where:
Base-Base interactions energy: -247.123
where: short stacking energy: -97.762
Base-Backbone interact. energy: -0.309
local terms energy: -102.805981
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -26.952
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: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -369.191024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.191024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.191024 (E_RNA)
where:
Base-Base interactions energy: -249.187
where: short stacking energy: -107.552
Base-Backbone interact. energy: -0.422
local terms energy: -119.582386
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -18.845
tors. eta vs tors. theta energy: -32.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -338.270704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.270704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.270704 (E_RNA)
where:
Base-Base interactions energy: -236.603
where: short stacking energy: -94.496
Base-Backbone interact. energy: 0.587
local terms energy: -102.255562
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -27.685
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: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -308.990911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.990911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.990911 (E_RNA)
where:
Base-Base interactions energy: -207.447
where: short stacking energy: -88.352
Base-Backbone interact. energy: -0.947
local terms energy: -100.596954
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -289.170587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.170587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.170587 (E_RNA)
where:
Base-Base interactions energy: -184.326
where: short stacking energy: -97.683
Base-Backbone interact. energy: -0.322
local terms energy: -104.522932
where:
bonds (distance) C4'-P energy: -25.197
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -20.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -258.644173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.644173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.644173 (E_RNA)
where:
Base-Base interactions energy: -159.202
where: short stacking energy: -80.667
Base-Backbone interact. energy: -0.498
local terms energy: -98.944170
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -23.708
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -236.481939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.481939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.481939 (E_RNA)
where:
Base-Base interactions energy: -148.186
where: short stacking energy: -74.416
Base-Backbone interact. energy: -0.184
local terms energy: -88.112801
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -203.623243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.623243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.623243 (E_RNA)
where:
Base-Base interactions energy: -124.914
where: short stacking energy: -67.655
Base-Backbone interact. energy: -0.418
local terms energy: -78.290682
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -240.351471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.351471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.351471 (E_RNA)
where:
Base-Base interactions energy: -154.765
where: short stacking energy: -71.380
Base-Backbone interact. energy: 3.217
local terms energy: -88.803705
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -190.542699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.542699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.542699 (E_RNA)
where:
Base-Base interactions energy: -112.619
where: short stacking energy: -58.800
Base-Backbone interact. energy: -0.584
local terms energy: -77.339052
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -375.641157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.641157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.641157 (E_RNA)
where:
Base-Base interactions energy: -250.915
where: short stacking energy: -116.136
Base-Backbone interact. energy: -0.007
local terms energy: -124.718912
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -36.918
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: 2, replica: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -354.132145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.132145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.132145 (E_RNA)
where:
Base-Base interactions energy: -248.778
where: short stacking energy: -101.596
Base-Backbone interact. energy: -0.655
local terms energy: -104.698810
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -25.399
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -24.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -303.261314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.261314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.261314 (E_RNA)
where:
Base-Base interactions energy: -204.713
where: short stacking energy: -98.605
Base-Backbone interact. energy: -1.018
local terms energy: -97.529687
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -22.996
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -25.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -335.392733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.392733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.392733 (E_RNA)
where:
Base-Base interactions energy: -226.201
where: short stacking energy: -95.221
Base-Backbone interact. energy: -0.749
local terms energy: -108.441972
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -25.357
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -26.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -271.342007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.342007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.342007 (E_RNA)
where:
Base-Base interactions energy: -174.101
where: short stacking energy: -87.705
Base-Backbone interact. energy: -0.151
local terms energy: -97.090435
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -22.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -255.020271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.020271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.020271 (E_RNA)
where:
Base-Base interactions energy: -161.908
where: short stacking energy: -72.603
Base-Backbone interact. energy: -0.117
local terms energy: -92.995406
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -242.819071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.819071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.819071 (E_RNA)
where:
Base-Base interactions energy: -161.378
where: short stacking energy: -68.694
Base-Backbone interact. energy: -0.412
local terms energy: -81.029225
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -209.631699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.631699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.631699 (E_RNA)
where:
Base-Base interactions energy: -139.804
where: short stacking energy: -72.050
Base-Backbone interact. energy: -0.215
local terms energy: -69.612712
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -199.099750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.099750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.099750 (E_RNA)
where:
Base-Base interactions energy: -115.225
where: short stacking energy: -58.266
Base-Backbone interact. energy: 0.123
local terms energy: -83.998032
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -13.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -194.721642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.721642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.721642 (E_RNA)
where:
Base-Base interactions energy: -118.758
where: short stacking energy: -51.531
Base-Backbone interact. energy: -0.413
local terms energy: -75.550929
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -373.852434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.852434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.852434 (E_RNA)
where:
Base-Base interactions energy: -254.399
where: short stacking energy: -107.276
Base-Backbone interact. energy: -0.625
local terms energy: -118.828336
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -34.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -354.619371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.619371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.619371 (E_RNA)
where:
Base-Base interactions energy: -248.443
where: short stacking energy: -96.153
Base-Backbone interact. energy: -0.549
local terms energy: -105.628102
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -22.379
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -21.207
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: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -304.268402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.268402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.268402 (E_RNA)
where:
Base-Base interactions energy: -193.129
where: short stacking energy: -96.198
Base-Backbone interact. energy: -0.008
local terms energy: -111.130911
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -24.451
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -27.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -340.139929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.139929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.139929 (E_RNA)
where:
Base-Base interactions energy: -232.341
where: short stacking energy: -94.610
Base-Backbone interact. energy: -2.027
local terms energy: -105.771787
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -25.983
flat angles C4'-P-C4' energy: -26.088
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -26.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -261.981464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.981464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.981464 (E_RNA)
where:
Base-Base interactions energy: -164.156
where: short stacking energy: -80.943
Base-Backbone interact. energy: -0.287
local terms energy: -97.538677
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -224.684112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.684112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.684112 (E_RNA)
where:
Base-Base interactions energy: -138.549
where: short stacking energy: -75.714
Base-Backbone interact. energy: -0.186
local terms energy: -85.949187
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -21.169
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -240.261901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.261901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.261901 (E_RNA)
where:
Base-Base interactions energy: -148.212
where: short stacking energy: -68.527
Base-Backbone interact. energy: -0.170
local terms energy: -91.879420
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -13.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -234.154234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.154234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.154234 (E_RNA)
where:
Base-Base interactions energy: -143.970
where: short stacking energy: -56.784
Base-Backbone interact. energy: -1.106
local terms energy: -89.078068
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -18.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -215.505012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.505012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.505012 (E_RNA)
where:
Base-Base interactions energy: -123.443
where: short stacking energy: -52.168
Base-Backbone interact. energy: -0.324
local terms energy: -91.738793
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -200.237279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.237279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.237279 (E_RNA)
where:
Base-Base interactions energy: -124.289
where: short stacking energy: -56.614
Base-Backbone interact. energy: -0.045
local terms energy: -75.903073
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -374.838292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.838292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.838292 (E_RNA)
where:
Base-Base interactions energy: -261.524
where: short stacking energy: -110.556
Base-Backbone interact. energy: -0.056
local terms energy: -113.258958
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -34.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -341.268094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.268094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.268094 (E_RNA)
where:
Base-Base interactions energy: -234.285
where: short stacking energy: -91.691
Base-Backbone interact. energy: -0.325
local terms energy: -106.658594
where:
bonds (distance) C4'-P energy: -23.780
bonds (distance) P-C4' energy: -23.625
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -323.400866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.400866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.400866 (E_RNA)
where:
Base-Base interactions energy: -218.178
where: short stacking energy: -91.016
Base-Backbone interact. energy: -0.790
local terms energy: -104.433631
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -25.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -304.315881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.315881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.315881 (E_RNA)
where:
Base-Base interactions energy: -188.263
where: short stacking energy: -98.721
Base-Backbone interact. energy: 0.232
local terms energy: -116.284217
where:
bonds (distance) C4'-P energy: -25.422
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -24.450
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -28.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -296.128325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.128325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.128325 (E_RNA)
where:
Base-Base interactions energy: -202.233
where: short stacking energy: -73.162
Base-Backbone interact. energy: -0.096
local terms energy: -93.799852
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -222.635785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.635785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.635785 (E_RNA)
where:
Base-Base interactions energy: -147.693
where: short stacking energy: -64.932
Base-Backbone interact. energy: -0.209
local terms energy: -74.733245
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -246.422187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.422187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.422187 (E_RNA)
where:
Base-Base interactions energy: -140.603
where: short stacking energy: -68.732
Base-Backbone interact. energy: -0.122
local terms energy: -105.696891
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -19.632
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: 394
Temperature: 1.250000
Total energy: -251.113059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.113059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.113059 (E_RNA)
where:
Base-Base interactions energy: -157.155
where: short stacking energy: -76.089
Base-Backbone interact. energy: 0.591
local terms energy: -94.549583
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -24.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -218.772320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.772320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.772320 (E_RNA)
where:
Base-Base interactions energy: -150.409
where: short stacking energy: -61.618
Base-Backbone interact. energy: -0.704
local terms energy: -67.658870
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -195.859906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.859906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.859906 (E_RNA)
where:
Base-Base interactions energy: -113.433
where: short stacking energy: -50.237
Base-Backbone interact. energy: 1.322
local terms energy: -83.748366
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -21.404
flat angles P-C4'-P energy: -15.503
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: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -366.622098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.622098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.622098 (E_RNA)
where:
Base-Base interactions energy: -253.899
where: short stacking energy: -111.329
Base-Backbone interact. energy: -0.102
local terms energy: -112.620829
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -37.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -334.751404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.751404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.751404 (E_RNA)
where:
Base-Base interactions energy: -242.955
where: short stacking energy: -99.304
Base-Backbone interact. energy: 1.902
local terms energy: -93.697969
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -25.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -328.888483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.888483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.888483 (E_RNA)
where:
Base-Base interactions energy: -226.613
where: short stacking energy: -88.407
Base-Backbone interact. energy: 0.573
local terms energy: -102.849281
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -23.858
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -306.597976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.597976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.597976 (E_RNA)
where:
Base-Base interactions energy: -201.109
where: short stacking energy: -86.320
Base-Backbone interact. energy: -0.729
local terms energy: -104.759849
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -24.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -288.423565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.423565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.423565 (E_RNA)
where:
Base-Base interactions energy: -184.592
where: short stacking energy: -88.578
Base-Backbone interact. energy: -1.058
local terms energy: -102.774066
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -15.721
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -248.721104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.721104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.721104 (E_RNA)
where:
Base-Base interactions energy: -161.102
where: short stacking energy: -78.622
Base-Backbone interact. energy: 0.411
local terms energy: -88.030052
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -216.704430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.704430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.704430 (E_RNA)
where:
Base-Base interactions energy: -128.819
where: short stacking energy: -61.282
Base-Backbone interact. energy: 0.656
local terms energy: -88.541681
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -14.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -258.487821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.487821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.487821 (E_RNA)
where:
Base-Base interactions energy: -164.879
where: short stacking energy: -75.106
Base-Backbone interact. energy: -0.135
local terms energy: -93.473705
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -24.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -188.565188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.565188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.565188 (E_RNA)
where:
Base-Base interactions energy: -113.982
where: short stacking energy: -61.940
Base-Backbone interact. energy: -0.026
local terms energy: -74.557375
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -204.192267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.192267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.192267 (E_RNA)
where:
Base-Base interactions energy: -123.730
where: short stacking energy: -47.793
Base-Backbone interact. energy: 0.520
local terms energy: -80.981838
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -9.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -361.080535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.080535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.080535 (E_RNA)
where:
Base-Base interactions energy: -246.644
where: short stacking energy: -104.123
Base-Backbone interact. energy: -1.033
local terms energy: -113.403883
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -29.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -366.217533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.217533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.217533 (E_RNA)
where:
Base-Base interactions energy: -251.134
where: short stacking energy: -103.020
Base-Backbone interact. energy: -0.040
local terms energy: -115.044334
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -26.631
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -30.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -345.068783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.068783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.068783 (E_RNA)
where:
Base-Base interactions energy: -244.187
where: short stacking energy: -92.513
Base-Backbone interact. energy: -0.381
local terms energy: -100.500678
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -25.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -309.502450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.502450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.502450 (E_RNA)
where:
Base-Base interactions energy: -201.839
where: short stacking energy: -88.808
Base-Backbone interact. energy: -0.167
local terms energy: -107.496761
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -292.762246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.762246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.762246 (E_RNA)
where:
Base-Base interactions energy: -189.495
where: short stacking energy: -79.126
Base-Backbone interact. energy: -0.444
local terms energy: -102.822781
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -26.408
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -260.191969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.191969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.191969 (E_RNA)
where:
Base-Base interactions energy: -168.176
where: short stacking energy: -72.303
Base-Backbone interact. energy: 2.122
local terms energy: -94.137590
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -262.845967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.845967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.845967 (E_RNA)
where:
Base-Base interactions energy: -167.615
where: short stacking energy: -75.564
Base-Backbone interact. energy: -0.123
local terms energy: -95.107671
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -24.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -228.889953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.889953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.889953 (E_RNA)
where:
Base-Base interactions energy: -152.385
where: short stacking energy: -72.675
Base-Backbone interact. energy: 1.230
local terms energy: -77.734896
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -13.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -204.179998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.179998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.179998 (E_RNA)
where:
Base-Base interactions energy: -126.126
where: short stacking energy: -61.773
Base-Backbone interact. energy: -0.375
local terms energy: -77.679464
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -222.993892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.993892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.993892 (E_RNA)
where:
Base-Base interactions energy: -136.695
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.040
local terms energy: -86.258681
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -360.457217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.457217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.457217 (E_RNA)
where:
Base-Base interactions energy: -259.434
where: short stacking energy: -100.920
Base-Backbone interact. energy: -1.510
local terms energy: -99.512941
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -18.987
flat angles C4'-P-C4' energy: -23.207
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -23.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -357.356544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.356544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.356544 (E_RNA)
where:
Base-Base interactions energy: -243.597
where: short stacking energy: -99.072
Base-Backbone interact. energy: -0.290
local terms energy: -113.469931
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -26.643
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -29.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -340.157544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.157544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.157544 (E_RNA)
where:
Base-Base interactions energy: -224.870
where: short stacking energy: -104.020
Base-Backbone interact. energy: -0.779
local terms energy: -114.507830
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -21.763
tors. eta vs tors. theta energy: -26.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -309.803476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.803476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.803476 (E_RNA)
where:
Base-Base interactions energy: -199.265
where: short stacking energy: -93.272
Base-Backbone interact. energy: -0.193
local terms energy: -110.346090
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -25.898
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: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -291.353204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.353204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.353204 (E_RNA)
where:
Base-Base interactions energy: -191.617
where: short stacking energy: -73.957
Base-Backbone interact. energy: -0.629
local terms energy: -99.107325
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -17.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -242.640904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.640904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.640904 (E_RNA)
where:
Base-Base interactions energy: -149.840
where: short stacking energy: -62.898
Base-Backbone interact. energy: 0.587
local terms energy: -93.387628
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -22.587
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -244.661992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.661992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.661992 (E_RNA)
where:
Base-Base interactions energy: -163.029
where: short stacking energy: -63.520
Base-Backbone interact. energy: -0.252
local terms energy: -81.381919
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -241.758684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.758684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.758684 (E_RNA)
where:
Base-Base interactions energy: -163.923
where: short stacking energy: -69.764
Base-Backbone interact. energy: -1.807
local terms energy: -76.028637
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -14.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -209.630725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.630725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.630725 (E_RNA)
where:
Base-Base interactions energy: -134.192
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.518
local terms energy: -74.920603
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -203.704159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.704159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.704159 (E_RNA)
where:
Base-Base interactions energy: -122.093
where: short stacking energy: -67.545
Base-Backbone interact. energy: -0.229
local terms energy: -81.382842
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -9.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -373.766333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.766333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.766333 (E_RNA)
where:
Base-Base interactions energy: -260.701
where: short stacking energy: -115.173
Base-Backbone interact. energy: -0.292
local terms energy: -112.773076
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -35.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -353.037063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.037063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.037063 (E_RNA)
where:
Base-Base interactions energy: -236.011
where: short stacking energy: -95.182
Base-Backbone interact. energy: -1.676
local terms energy: -115.349676
where:
bonds (distance) C4'-P energy: -24.177
bonds (distance) P-C4' energy: -25.127
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -30.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -322.055568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.055568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.055568 (E_RNA)
where:
Base-Base interactions energy: -210.869
where: short stacking energy: -92.641
Base-Backbone interact. energy: -0.086
local terms energy: -111.100737
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: -22.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -296.107252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.107252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.107252 (E_RNA)
where:
Base-Base interactions energy: -198.419
where: short stacking energy: -85.531
Base-Backbone interact. energy: -0.259
local terms energy: -97.429683
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -256.050362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.050362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.050362 (E_RNA)
where:
Base-Base interactions energy: -167.249
where: short stacking energy: -79.481
Base-Backbone interact. energy: -0.040
local terms energy: -88.761044
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: -11.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -274.996828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.996828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.996828 (E_RNA)
where:
Base-Base interactions energy: -179.285
where: short stacking energy: -82.751
Base-Backbone interact. energy: -0.164
local terms energy: -95.548084
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -253.062105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.062105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.062105 (E_RNA)
where:
Base-Base interactions energy: -171.551
where: short stacking energy: -80.318
Base-Backbone interact. energy: -0.215
local terms energy: -81.296322
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -245.960481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.960481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.960481 (E_RNA)
where:
Base-Base interactions energy: -159.635
where: short stacking energy: -67.073
Base-Backbone interact. energy: -0.563
local terms energy: -85.762330
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -197.985087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.985087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.985087 (E_RNA)
where:
Base-Base interactions energy: -109.370
where: short stacking energy: -58.933
Base-Backbone interact. energy: -0.475
local terms energy: -88.140201
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -189.499958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.499958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.499958 (E_RNA)
where:
Base-Base interactions energy: -108.496
where: short stacking energy: -50.740
Base-Backbone interact. energy: -0.932
local terms energy: -80.071377
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -371.010539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.010539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.010539 (E_RNA)
where:
Base-Base interactions energy: -253.098
where: short stacking energy: -106.825
Base-Backbone interact. energy: -0.207
local terms energy: -117.705769
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -24.981
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -35.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -336.482062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.482062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.482062 (E_RNA)
where:
Base-Base interactions energy: -226.225
where: short stacking energy: -110.239
Base-Backbone interact. energy: -0.033
local terms energy: -110.224536
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -24.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -333.840479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.840479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.840479 (E_RNA)
where:
Base-Base interactions energy: -231.662
where: short stacking energy: -93.366
Base-Backbone interact. energy: -1.162
local terms energy: -101.016084
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -23.108
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: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -296.816960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.816960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.816960 (E_RNA)
where:
Base-Base interactions energy: -200.024
where: short stacking energy: -93.378
Base-Backbone interact. energy: -0.277
local terms energy: -96.516057
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -23.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -256.298166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.298166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.298166 (E_RNA)
where:
Base-Base interactions energy: -159.735
where: short stacking energy: -73.129
Base-Backbone interact. energy: -0.482
local terms energy: -96.081320
where:
bonds (distance) C4'-P energy: -23.217
bonds (distance) P-C4' energy: -23.957
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -272.180091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.180091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.180091 (E_RNA)
where:
Base-Base interactions energy: -181.752
where: short stacking energy: -70.824
Base-Backbone interact. energy: -0.317
local terms energy: -90.110892
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -258.541454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.541454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.541454 (E_RNA)
where:
Base-Base interactions energy: -165.627
where: short stacking energy: -71.840
Base-Backbone interact. energy: 0.188
local terms energy: -93.102672
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -203.584510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.584510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.584510 (E_RNA)
where:
Base-Base interactions energy: -124.659
where: short stacking energy: -55.763
Base-Backbone interact. energy: -0.951
local terms energy: -77.974731
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -241.505204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.505204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.505204 (E_RNA)
where:
Base-Base interactions energy: -148.277
where: short stacking energy: -64.861
Base-Backbone interact. energy: -0.211
local terms energy: -93.017215
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -184.310811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.310811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.310811 (E_RNA)
where:
Base-Base interactions energy: -110.106
where: short stacking energy: -54.200
Base-Backbone interact. energy: -0.226
local terms energy: -73.979050
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -8.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -381.388327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.388327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.388327 (E_RNA)
where:
Base-Base interactions energy: -259.346
where: short stacking energy: -115.161
Base-Backbone interact. energy: -0.125
local terms energy: -121.917155
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -35.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -331.988716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.988716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.988716 (E_RNA)
where:
Base-Base interactions energy: -232.586
where: short stacking energy: -102.195
Base-Backbone interact. energy: -0.180
local terms energy: -99.222184
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -24.278
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: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -338.831457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.831457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.831457 (E_RNA)
where:
Base-Base interactions energy: -239.614
where: short stacking energy: -99.273
Base-Backbone interact. energy: -0.320
local terms energy: -98.897354
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -20.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -300.050034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.050034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.050034 (E_RNA)
where:
Base-Base interactions energy: -187.631
where: short stacking energy: -97.883
Base-Backbone interact. energy: -0.223
local terms energy: -112.196386
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -28.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -265.829111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.829111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.829111 (E_RNA)
where:
Base-Base interactions energy: -167.087
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.209
local terms energy: -98.533717
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -270.511594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.511594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.511594 (E_RNA)
where:
Base-Base interactions energy: -168.192
where: short stacking energy: -83.293
Base-Backbone interact. energy: -0.133
local terms energy: -102.187103
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -22.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -200.073987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.073987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.073987 (E_RNA)
where:
Base-Base interactions energy: -113.998
where: short stacking energy: -54.064
Base-Backbone interact. energy: -0.259
local terms energy: -85.817432
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -23.220
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -13.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -235.830542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.830542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.830542 (E_RNA)
where:
Base-Base interactions energy: -145.101
where: short stacking energy: -65.530
Base-Backbone interact. energy: 0.135
local terms energy: -90.864062
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -217.333176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.333176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.333176 (E_RNA)
where:
Base-Base interactions energy: -141.639
where: short stacking energy: -62.831
Base-Backbone interact. energy: -0.104
local terms energy: -75.590158
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -199.366336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.366336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.366336 (E_RNA)
where:
Base-Base interactions energy: -123.911
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.426
local terms energy: -75.029889
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -10.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -376.361684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.361684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.361684 (E_RNA)
where:
Base-Base interactions energy: -251.300
where: short stacking energy: -110.599
Base-Backbone interact. energy: -0.182
local terms energy: -124.880167
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -26.470
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -34.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -350.383580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.383580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.383580 (E_RNA)
where:
Base-Base interactions energy: -241.619
where: short stacking energy: -96.672
Base-Backbone interact. energy: -0.264
local terms energy: -108.501307
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -24.183
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -28.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -351.586392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.586392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.586392 (E_RNA)
where:
Base-Base interactions energy: -247.237
where: short stacking energy: -95.321
Base-Backbone interact. energy: -0.770
local terms energy: -103.579089
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -312.962819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.962819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.962819 (E_RNA)
where:
Base-Base interactions energy: -203.112
where: short stacking energy: -94.138
Base-Backbone interact. energy: -0.745
local terms energy: -109.105460
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -26.535
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -18.524
tors. eta vs tors. theta energy: -22.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -273.296395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.296395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.296395 (E_RNA)
where:
Base-Base interactions energy: -166.802
where: short stacking energy: -82.143
Base-Backbone interact. energy: -0.726
local terms energy: -105.768300
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -22.758
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -268.613503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.613503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.613503 (E_RNA)
where:
Base-Base interactions energy: -170.059
where: short stacking energy: -77.666
Base-Backbone interact. energy: 1.460
local terms energy: -100.014560
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -23.918
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -19.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -209.823516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.823516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.823516 (E_RNA)
where:
Base-Base interactions energy: -125.375
where: short stacking energy: -59.571
Base-Backbone interact. energy: -0.080
local terms energy: -84.368786
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -10.156
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: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -235.206706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.206706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.206706 (E_RNA)
where:
Base-Base interactions energy: -159.690
where: short stacking energy: -63.085
Base-Backbone interact. energy: -0.255
local terms energy: -75.261619
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -14.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -237.115862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.115862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.115862 (E_RNA)
where:
Base-Base interactions energy: -156.069
where: short stacking energy: -76.261
Base-Backbone interact. energy: -0.121
local terms energy: -80.925509
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -23.317
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -220.276216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.276216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.276216 (E_RNA)
where:
Base-Base interactions energy: -133.335
where: short stacking energy: -66.396
Base-Backbone interact. energy: -1.413
local terms energy: -85.527676
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -356.994886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.994886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.994886 (E_RNA)
where:
Base-Base interactions energy: -239.310
where: short stacking energy: -108.059
Base-Backbone interact. energy: -0.118
local terms energy: -117.566482
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -31.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -357.540976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.540976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.540976 (E_RNA)
where:
Base-Base interactions energy: -246.672
where: short stacking energy: -101.138
Base-Backbone interact. energy: -0.014
local terms energy: -110.854975
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -32.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -307.063163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.063163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.063163 (E_RNA)
where:
Base-Base interactions energy: -198.296
where: short stacking energy: -94.477
Base-Backbone interact. energy: -0.376
local terms energy: -108.391541
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -20.942
tors. eta vs tors. theta energy: -24.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -323.948290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.948290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.948290 (E_RNA)
where:
Base-Base interactions energy: -232.651
where: short stacking energy: -88.404
Base-Backbone interact. energy: -0.377
local terms energy: -90.921065
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -20.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -271.923512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.923512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.923512 (E_RNA)
where:
Base-Base interactions energy: -172.721
where: short stacking energy: -88.112
Base-Backbone interact. energy: 0.624
local terms energy: -99.825820
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -23.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -270.027882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.027882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.027882 (E_RNA)
where:
Base-Base interactions energy: -171.479
where: short stacking energy: -80.346
Base-Backbone interact. energy: -0.106
local terms energy: -98.443145
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -24.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -253.179880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.179880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.179880 (E_RNA)
where:
Base-Base interactions energy: -160.082
where: short stacking energy: -77.219
Base-Backbone interact. energy: 0.452
local terms energy: -93.550422
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -15.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -218.008244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.008244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.008244 (E_RNA)
where:
Base-Base interactions energy: -127.886
where: short stacking energy: -63.159
Base-Backbone interact. energy: -0.120
local terms energy: -90.001844
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -226.187646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.187646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.187646 (E_RNA)
where:
Base-Base interactions energy: -151.287
where: short stacking energy: -61.369
Base-Backbone interact. energy: 0.480
local terms energy: -75.380194
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -197.469420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.469420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.469420 (E_RNA)
where:
Base-Base interactions energy: -116.726
where: short stacking energy: -51.495
Base-Backbone interact. energy: -0.249
local terms energy: -80.493598
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -355.207160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.207160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.207160 (E_RNA)
where:
Base-Base interactions energy: -246.487
where: short stacking energy: -109.163
Base-Backbone interact. energy: 1.704
local terms energy: -110.424521
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -25.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -363.957906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.957906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.957906 (E_RNA)
where:
Base-Base interactions energy: -249.073
where: short stacking energy: -103.660
Base-Backbone interact. energy: -0.002
local terms energy: -114.883567
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -25.360
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -32.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -314.836503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.836503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.836503 (E_RNA)
where:
Base-Base interactions energy: -215.092
where: short stacking energy: -94.848
Base-Backbone interact. energy: -0.368
local terms energy: -99.376700
where:
bonds (distance) C4'-P energy: -22.048
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -20.592
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: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -312.336789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.336789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.336789 (E_RNA)
where:
Base-Base interactions energy: -207.454
where: short stacking energy: -90.319
Base-Backbone interact. energy: -0.013
local terms energy: -104.869710
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -24.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -288.041191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.041191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.041191 (E_RNA)
where:
Base-Base interactions energy: -184.303
where: short stacking energy: -81.596
Base-Backbone interact. energy: -0.218
local terms energy: -103.519806
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -23.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -265.828606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.828606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.828606 (E_RNA)
where:
Base-Base interactions energy: -166.433
where: short stacking energy: -78.291
Base-Backbone interact. energy: -1.611
local terms energy: -97.784640
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -21.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -256.000592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.000592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.000592 (E_RNA)
where:
Base-Base interactions energy: -164.753
where: short stacking energy: -63.820
Base-Backbone interact. energy: 0.313
local terms energy: -91.560806
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -219.089053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.089053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.089053 (E_RNA)
where:
Base-Base interactions energy: -138.579
where: short stacking energy: -54.036
Base-Backbone interact. energy: -0.835
local terms energy: -79.675225
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -9.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -200.737684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.737684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.737684 (E_RNA)
where:
Base-Base interactions energy: -123.760
where: short stacking energy: -62.053
Base-Backbone interact. energy: -0.780
local terms energy: -76.196983
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -11.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -192.731889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.731889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.731889 (E_RNA)
where:
Base-Base interactions energy: -123.246
where: short stacking energy: -68.462
Base-Backbone interact. energy: -1.362
local terms energy: -68.124002
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -373.332293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.332293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.332293 (E_RNA)
where:
Base-Base interactions energy: -254.428
where: short stacking energy: -102.817
Base-Backbone interact. energy: -0.125
local terms energy: -118.779739
where:
bonds (distance) C4'-P energy: -25.195
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -32.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -347.945671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.945671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.945671 (E_RNA)
where:
Base-Base interactions energy: -237.172
where: short stacking energy: -110.721
Base-Backbone interact. energy: -0.346
local terms energy: -110.427546
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -27.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -318.595553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.595553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.595553 (E_RNA)
where:
Base-Base interactions energy: -217.295
where: short stacking energy: -96.768
Base-Backbone interact. energy: -0.167
local terms energy: -101.133900
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -25.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -293.798890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.798890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.798890 (E_RNA)
where:
Base-Base interactions energy: -188.978
where: short stacking energy: -77.108
Base-Backbone interact. energy: -1.361
local terms energy: -103.460848
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -289.505094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.505094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.505094 (E_RNA)
where:
Base-Base interactions energy: -200.355
where: short stacking energy: -78.267
Base-Backbone interact. energy: 0.314
local terms energy: -89.463896
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -270.284802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.284802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.284802 (E_RNA)
where:
Base-Base interactions energy: -170.558
where: short stacking energy: -76.617
Base-Backbone interact. energy: -0.155
local terms energy: -99.571851
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -22.726
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -217.002138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.002138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.002138 (E_RNA)
where:
Base-Base interactions energy: -134.446
where: short stacking energy: -66.815
Base-Backbone interact. energy: -0.079
local terms energy: -82.477414
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -248.031871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.031871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.031871 (E_RNA)
where:
Base-Base interactions energy: -164.409
where: short stacking energy: -64.567
Base-Backbone interact. energy: -0.918
local terms energy: -82.705454
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -203.734030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.734030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.734030 (E_RNA)
where:
Base-Base interactions energy: -132.326
where: short stacking energy: -66.855
Base-Backbone interact. energy: -0.164
local terms energy: -71.244144
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -191.817892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.817892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.817892 (E_RNA)
where:
Base-Base interactions energy: -114.869
where: short stacking energy: -53.436
Base-Backbone interact. energy: -0.045
local terms energy: -76.904026
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -27.033
flat angles C4'-P-C4' energy: -8.868
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -365.286256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.286256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.286256 (E_RNA)
where:
Base-Base interactions energy: -249.529
where: short stacking energy: -108.599
Base-Backbone interact. energy: -0.011
local terms energy: -115.746899
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -25.130
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -33.192
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: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -334.069505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.069505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.069505 (E_RNA)
where:
Base-Base interactions energy: -218.374
where: short stacking energy: -99.707
Base-Backbone interact. energy: -0.512
local terms energy: -115.183652
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -22.698
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -26.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -324.991793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.991793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.991793 (E_RNA)
where:
Base-Base interactions energy: -212.808
where: short stacking energy: -92.546
Base-Backbone interact. energy: -0.144
local terms energy: -112.039781
where:
bonds (distance) C4'-P energy: -25.082
bonds (distance) P-C4' energy: -27.091
flat angles C4'-P-C4' energy: -25.582
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -23.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -302.686173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.686173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.686173 (E_RNA)
where:
Base-Base interactions energy: -208.103
where: short stacking energy: -86.917
Base-Backbone interact. energy: 0.990
local terms energy: -95.573855
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -19.630
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: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -278.497469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.497469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.497469 (E_RNA)
where:
Base-Base interactions energy: -182.498
where: short stacking energy: -87.758
Base-Backbone interact. energy: -0.506
local terms energy: -95.493341
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -266.653944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.653944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.653944 (E_RNA)
where:
Base-Base interactions energy: -181.105
where: short stacking energy: -80.066
Base-Backbone interact. energy: -0.113
local terms energy: -85.436155
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -17.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -242.796913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.796913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.796913 (E_RNA)
where:
Base-Base interactions energy: -149.596
where: short stacking energy: -70.426
Base-Backbone interact. energy: -0.951
local terms energy: -92.250089
where:
bonds (distance) C4'-P energy: -22.294
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -268.814466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.814466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.814466 (E_RNA)
where:
Base-Base interactions energy: -168.485
where: short stacking energy: -80.193
Base-Backbone interact. energy: -0.188
local terms energy: -100.141342
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -24.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -205.860910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.860910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.860910 (E_RNA)
where:
Base-Base interactions energy: -115.525
where: short stacking energy: -55.234
Base-Backbone interact. energy: -2.006
local terms energy: -88.329972
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -174.699265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.699265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.699265 (E_RNA)
where:
Base-Base interactions energy: -113.507
where: short stacking energy: -53.876
Base-Backbone interact. energy: -1.044
local terms energy: -60.148413
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: 4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -367.957237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.957237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.957237 (E_RNA)
where:
Base-Base interactions energy: -242.228
where: short stacking energy: -106.681
Base-Backbone interact. energy: -0.035
local terms energy: -125.694861
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -25.839
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -35.387
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: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -343.476812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.476812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.476812 (E_RNA)
where:
Base-Base interactions energy: -233.673
where: short stacking energy: -99.272
Base-Backbone interact. energy: -0.306
local terms energy: -109.497404
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -24.123
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -25.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -319.775494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.775494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.775494 (E_RNA)
where:
Base-Base interactions energy: -209.073
where: short stacking energy: -99.648
Base-Backbone interact. energy: -0.589
local terms energy: -110.113323
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -27.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -295.619230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.619230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.619230 (E_RNA)
where:
Base-Base interactions energy: -204.709
where: short stacking energy: -80.596
Base-Backbone interact. energy: -0.351
local terms energy: -90.559288
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -274.294098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.294098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.294098 (E_RNA)
where:
Base-Base interactions energy: -170.347
where: short stacking energy: -82.350
Base-Backbone interact. energy: -0.744
local terms energy: -103.202554
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -24.196
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: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -271.602641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.602641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.602641 (E_RNA)
where:
Base-Base interactions energy: -179.972
where: short stacking energy: -71.838
Base-Backbone interact. energy: -0.550
local terms energy: -91.080640
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -236.854490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.854490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.854490 (E_RNA)
where:
Base-Base interactions energy: -150.444
where: short stacking energy: -63.018
Base-Backbone interact. energy: 0.314
local terms energy: -86.724010
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -237.066201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.066201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.066201 (E_RNA)
where:
Base-Base interactions energy: -153.078
where: short stacking energy: -68.713
Base-Backbone interact. energy: 1.105
local terms energy: -85.093098
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -13.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -198.294842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.294842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.294842 (E_RNA)
where:
Base-Base interactions energy: -112.854
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.182
local terms energy: -85.258966
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -226.896219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.896219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.896219 (E_RNA)
where:
Base-Base interactions energy: -125.797
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.106
local terms energy: -100.992715
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -22.758
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -23.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -372.824217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.824217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.824217 (E_RNA)
where:
Base-Base interactions energy: -248.879
where: short stacking energy: -110.556
Base-Backbone interact. energy: -0.501
local terms energy: -123.444362
where:
bonds (distance) C4'-P energy: -26.380
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -33.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -329.754069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.754069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.754069 (E_RNA)
where:
Base-Base interactions energy: -214.924
where: short stacking energy: -96.995
Base-Backbone interact. energy: -0.643
local terms energy: -114.187181
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -25.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -339.681254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.681254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.681254 (E_RNA)
where:
Base-Base interactions energy: -240.047
where: short stacking energy: -98.644
Base-Backbone interact. energy: -0.457
local terms energy: -99.177939
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -24.763
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -24.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -303.357529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.357529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.357529 (E_RNA)
where:
Base-Base interactions energy: -201.873
where: short stacking energy: -92.278
Base-Backbone interact. energy: -0.833
local terms energy: -100.651894
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -24.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -268.318258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.318258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.318258 (E_RNA)
where:
Base-Base interactions energy: -167.114
where: short stacking energy: -81.632
Base-Backbone interact. energy: -0.089
local terms energy: -101.115009
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -24.547
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -258.578539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.578539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.578539 (E_RNA)
where:
Base-Base interactions energy: -164.820
where: short stacking energy: -81.243
Base-Backbone interact. energy: -0.107
local terms energy: -93.651053
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -21.543
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -252.268780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.268780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.268780 (E_RNA)
where:
Base-Base interactions energy: -161.186
where: short stacking energy: -74.716
Base-Backbone interact. energy: -0.248
local terms energy: -90.833990
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -18.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -218.174366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.174366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.174366 (E_RNA)
where:
Base-Base interactions energy: -144.016
where: short stacking energy: -63.749
Base-Backbone interact. energy: -0.300
local terms energy: -73.858021
where:
bonds (distance) C4'-P energy: -7.186
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -201.833187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.833187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.833187 (E_RNA)
where:
Base-Base interactions energy: -128.503
where: short stacking energy: -71.335
Base-Backbone interact. energy: -0.122
local terms energy: -73.207964
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -202.623827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.623827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.623827 (E_RNA)
where:
Base-Base interactions energy: -119.917
where: short stacking energy: -53.528
Base-Backbone interact. energy: -0.233
local terms energy: -82.473578
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -7.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -367.865173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.865173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.865173 (E_RNA)
where:
Base-Base interactions energy: -254.015
where: short stacking energy: -111.082
Base-Backbone interact. energy: -0.515
local terms energy: -113.334825
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -33.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -343.362326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.362326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.362326 (E_RNA)
where:
Base-Base interactions energy: -231.072
where: short stacking energy: -107.250
Base-Backbone interact. energy: -0.139
local terms energy: -112.151916
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -24.582
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: -29.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -346.950350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.950350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.950350 (E_RNA)
where:
Base-Base interactions energy: -238.813
where: short stacking energy: -93.122
Base-Backbone interact. energy: -0.849
local terms energy: -107.288764
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -23.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -297.158928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.158928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.158928 (E_RNA)
where:
Base-Base interactions energy: -191.411
where: short stacking energy: -89.428
Base-Backbone interact. energy: -0.721
local terms energy: -105.027568
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -24.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -287.566933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.566933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.566933 (E_RNA)
where:
Base-Base interactions energy: -172.558
where: short stacking energy: -95.678
Base-Backbone interact. energy: -0.254
local terms energy: -114.753955
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -25.266
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -26.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -257.002910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.002910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.002910 (E_RNA)
where:
Base-Base interactions energy: -163.024
where: short stacking energy: -85.485
Base-Backbone interact. energy: -0.233
local terms energy: -93.745642
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -19.856
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: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -256.999914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.999914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.999914 (E_RNA)
where:
Base-Base interactions energy: -163.074
where: short stacking energy: -79.071
Base-Backbone interact. energy: -0.097
local terms energy: -93.828994
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -23.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -252.662662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.662662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.662662 (E_RNA)
where:
Base-Base interactions energy: -152.347
where: short stacking energy: -74.193
Base-Backbone interact. energy: -0.099
local terms energy: -100.216270
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -23.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -225.301594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.301594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.301594 (E_RNA)
where:
Base-Base interactions energy: -153.627
where: short stacking energy: -64.640
Base-Backbone interact. energy: -0.243
local terms energy: -71.431395
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -204.882640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.882640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.882640 (E_RNA)
where:
Base-Base interactions energy: -123.279
where: short stacking energy: -59.168
Base-Backbone interact. energy: -0.441
local terms energy: -81.161953
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -362.248779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.248779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.248779 (E_RNA)
where:
Base-Base interactions energy: -243.107
where: short stacking energy: -105.548
Base-Backbone interact. energy: -0.007
local terms energy: -119.134221
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -24.973
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -36.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -338.505073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.505073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.505073 (E_RNA)
where:
Base-Base interactions energy: -229.688
where: short stacking energy: -90.822
Base-Backbone interact. energy: -1.588
local terms energy: -107.228579
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -25.274
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -26.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -332.496201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.496201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.496201 (E_RNA)
where:
Base-Base interactions energy: -224.423
where: short stacking energy: -95.224
Base-Backbone interact. energy: -0.131
local terms energy: -107.942656
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -17.952
tors. eta vs tors. theta energy: -27.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -273.875969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.875969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.875969 (E_RNA)
where:
Base-Base interactions energy: -180.769
where: short stacking energy: -84.921
Base-Backbone interact. energy: -0.501
local terms energy: -92.606433
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -287.203138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.203138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.203138 (E_RNA)
where:
Base-Base interactions energy: -199.387
where: short stacking energy: -94.880
Base-Backbone interact. energy: 1.043
local terms energy: -88.858667
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -27.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -266.006684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.006684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.006684 (E_RNA)
where:
Base-Base interactions energy: -167.355
where: short stacking energy: -74.921
Base-Backbone interact. energy: -0.285
local terms energy: -98.366918
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -244.556632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.556632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.556632 (E_RNA)
where:
Base-Base interactions energy: -158.269
where: short stacking energy: -73.051
Base-Backbone interact. energy: -0.164
local terms energy: -86.123480
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -11.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -260.760990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.760990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.760990 (E_RNA)
where:
Base-Base interactions energy: -170.623
where: short stacking energy: -87.307
Base-Backbone interact. energy: -0.036
local terms energy: -90.102274
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -22.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -224.824636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.824636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.824636 (E_RNA)
where:
Base-Base interactions energy: -133.909
where: short stacking energy: -55.519
Base-Backbone interact. energy: -0.147
local terms energy: -90.768207
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -199.444416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.444416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.444416 (E_RNA)
where:
Base-Base interactions energy: -126.634
where: short stacking energy: -57.801
Base-Backbone interact. energy: -0.107
local terms energy: -72.703681
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -371.577538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.577538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.577538 (E_RNA)
where:
Base-Base interactions energy: -244.626
where: short stacking energy: -111.458
Base-Backbone interact. energy: -0.030
local terms energy: -126.921444
where:
bonds (distance) C4'-P energy: -26.510
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -35.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -349.995470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.995470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.995470 (E_RNA)
where:
Base-Base interactions energy: -238.674
where: short stacking energy: -87.838
Base-Backbone interact. energy: -0.952
local terms energy: -110.369605
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -25.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -336.244157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.244157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.244157 (E_RNA)
where:
Base-Base interactions energy: -219.460
where: short stacking energy: -94.213
Base-Backbone interact. energy: -1.424
local terms energy: -115.360131
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -23.856
flat angles P-C4'-P energy: -22.141
tors. eta vs tors. theta energy: -24.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -304.493911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.493911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.493911 (E_RNA)
where:
Base-Base interactions energy: -201.513
where: short stacking energy: -68.222
Base-Backbone interact. energy: -0.336
local terms energy: -102.644478
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -272.427877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.427877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.427877 (E_RNA)
where:
Base-Base interactions energy: -175.637
where: short stacking energy: -84.434
Base-Backbone interact. energy: 1.518
local terms energy: -98.308046
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -24.255
flat angles P-C4'-P energy: -17.435
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -258.397455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.397455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.397455 (E_RNA)
where:
Base-Base interactions energy: -166.436
where: short stacking energy: -79.909
Base-Backbone interact. energy: -0.093
local terms energy: -91.867947
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -261.205902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.205902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.205902 (E_RNA)
where:
Base-Base interactions energy: -179.719
where: short stacking energy: -75.678
Base-Backbone interact. energy: -0.450
local terms energy: -81.037048
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -236.111575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.111575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.111575 (E_RNA)
where:
Base-Base interactions energy: -160.799
where: short stacking energy: -75.755
Base-Backbone interact. energy: -0.332
local terms energy: -74.980346
where:
bonds (distance) C4'-P energy: -8.793
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -198.430262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.430262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.430262 (E_RNA)
where:
Base-Base interactions energy: -115.012
where: short stacking energy: -59.121
Base-Backbone interact. energy: -0.094
local terms energy: -83.324237
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -11.747
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: 10, replica: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -188.107304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.107304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.107304 (E_RNA)
where:
Base-Base interactions energy: -117.423
where: short stacking energy: -58.441
Base-Backbone interact. energy: -0.138
local terms energy: -70.546455
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -376.958692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.958692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.958692 (E_RNA)
where:
Base-Base interactions energy: -251.646
where: short stacking energy: -108.624
Base-Backbone interact. energy: -0.121
local terms energy: -125.191051
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -35.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -337.552518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.552518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.552518 (E_RNA)
where:
Base-Base interactions energy: -239.121
where: short stacking energy: -89.118
Base-Backbone interact. energy: 1.590
local terms energy: -100.021259
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -25.236
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -336.789064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.789064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.789064 (E_RNA)
where:
Base-Base interactions energy: -226.496
where: short stacking energy: -92.632
Base-Backbone interact. energy: 0.132
local terms energy: -110.424802
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -26.488
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: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -281.429952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.429952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.429952 (E_RNA)
where:
Base-Base interactions energy: -191.428
where: short stacking energy: -90.681
Base-Backbone interact. energy: 2.029
local terms energy: -92.031390
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -28.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -302.147560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.147560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.147560 (E_RNA)
where:
Base-Base interactions energy: -206.019
where: short stacking energy: -78.438
Base-Backbone interact. energy: -0.975
local terms energy: -95.154462
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: -15.770
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: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -272.791344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.791344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.791344 (E_RNA)
where:
Base-Base interactions energy: -166.581
where: short stacking energy: -79.865
Base-Backbone interact. energy: -0.086
local terms energy: -106.124862
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -23.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -269.532521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.532521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.532521 (E_RNA)
where:
Base-Base interactions energy: -176.404
where: short stacking energy: -89.530
Base-Backbone interact. energy: 1.451
local terms energy: -94.579983
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -24.241
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -18.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -204.525466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.525466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.525466 (E_RNA)
where:
Base-Base interactions energy: -117.741
where: short stacking energy: -55.318
Base-Backbone interact. energy: -0.769
local terms energy: -86.014761
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -238.776994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.776994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.776994 (E_RNA)
where:
Base-Base interactions energy: -150.229
where: short stacking energy: -60.578
Base-Backbone interact. energy: -0.856
local terms energy: -87.692047
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -193.332249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.332249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.332249 (E_RNA)
where:
Base-Base interactions energy: -118.242
where: short stacking energy: -64.653
Base-Backbone interact. energy: 0.057
local terms energy: -75.147378
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -344.957160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.957160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.957160 (E_RNA)
where:
Base-Base interactions energy: -245.168
where: short stacking energy: -87.060
Base-Backbone interact. energy: -0.256
local terms energy: -99.532888
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -22.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -362.649440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.649440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.649440 (E_RNA)
where:
Base-Base interactions energy: -246.156
where: short stacking energy: -102.446
Base-Backbone interact. energy: 0.921
local terms energy: -117.414749
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -32.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -317.255596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.255596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.255596 (E_RNA)
where:
Base-Base interactions energy: -225.101
where: short stacking energy: -82.567
Base-Backbone interact. energy: -0.294
local terms energy: -91.860810
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -289.729610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.729610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.729610 (E_RNA)
where:
Base-Base interactions energy: -186.034
where: short stacking energy: -85.588
Base-Backbone interact. energy: -0.005
local terms energy: -103.689861
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -299.047215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.047215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.047215 (E_RNA)
where:
Base-Base interactions energy: -208.078
where: short stacking energy: -82.158
Base-Backbone interact. energy: -0.212
local terms energy: -90.758024
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -284.353258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.353258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.353258 (E_RNA)
where:
Base-Base interactions energy: -187.089
where: short stacking energy: -92.398
Base-Backbone interact. energy: -0.798
local terms energy: -96.466179
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -24.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -257.429840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.429840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.429840 (E_RNA)
where:
Base-Base interactions energy: -159.422
where: short stacking energy: -82.505
Base-Backbone interact. energy: -0.289
local terms energy: -97.719517
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -22.785
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -216.336980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.336980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.336980 (E_RNA)
where:
Base-Base interactions energy: -130.060
where: short stacking energy: -63.498
Base-Backbone interact. energy: 0.116
local terms energy: -86.392843
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -212.743814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.743814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.743814 (E_RNA)
where:
Base-Base interactions energy: -128.174
where: short stacking energy: -62.379
Base-Backbone interact. energy: 2.134
local terms energy: -86.703744
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -199.087404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.087404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.087404 (E_RNA)
where:
Base-Base interactions energy: -120.438
where: short stacking energy: -53.494
Base-Backbone interact. energy: -1.159
local terms energy: -77.490660
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -12.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -356.354663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.354663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.354663 (E_RNA)
where:
Base-Base interactions energy: -247.731
where: short stacking energy: -86.751
Base-Backbone interact. energy: -0.337
local terms energy: -108.286334
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -22.769
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: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -370.243628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.243628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.243628 (E_RNA)
where:
Base-Base interactions energy: -252.161
where: short stacking energy: -106.457
Base-Backbone interact. energy: -0.098
local terms energy: -117.984105
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -22.064
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -36.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -333.240871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.240871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.240871 (E_RNA)
where:
Base-Base interactions energy: -236.199
where: short stacking energy: -94.310
Base-Backbone interact. energy: 0.424
local terms energy: -97.465500
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -24.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -292.811386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.811386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.811386 (E_RNA)
where:
Base-Base interactions energy: -203.661
where: short stacking energy: -85.823
Base-Backbone interact. energy: -0.312
local terms energy: -88.838750
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -268.551321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.551321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.551321 (E_RNA)
where:
Base-Base interactions energy: -179.682
where: short stacking energy: -75.459
Base-Backbone interact. energy: -0.365
local terms energy: -88.504337
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -22.884
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -270.136583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.136583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.136583 (E_RNA)
where:
Base-Base interactions energy: -182.478
where: short stacking energy: -80.276
Base-Backbone interact. energy: 0.954
local terms energy: -88.612192
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -18.836
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: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -270.174792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.174792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.174792 (E_RNA)
where:
Base-Base interactions energy: -182.481
where: short stacking energy: -82.599
Base-Backbone interact. energy: -0.114
local terms energy: -87.579702
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -210.491623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.491623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.491623 (E_RNA)
where:
Base-Base interactions energy: -131.273
where: short stacking energy: -54.573
Base-Backbone interact. energy: 0.508
local terms energy: -79.726169
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -191.104357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.104357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.104357 (E_RNA)
where:
Base-Base interactions energy: -112.727
where: short stacking energy: -55.885
Base-Backbone interact. energy: -0.622
local terms energy: -77.755347
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -9.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -213.483174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.483174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.483174 (E_RNA)
where:
Base-Base interactions energy: -134.872
where: short stacking energy: -62.450
Base-Backbone interact. energy: -0.413
local terms energy: -78.197261
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -9.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -369.625609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.625609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.625609 (E_RNA)
where:
Base-Base interactions energy: -250.483
where: short stacking energy: -114.298
Base-Backbone interact. energy: -0.179
local terms energy: -118.963800
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -23.736
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: -33.462
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: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -348.445192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.445192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.445192 (E_RNA)
where:
Base-Base interactions energy: -248.981
where: short stacking energy: -97.761
Base-Backbone interact. energy: 4.805
local terms energy: -104.268931
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -27.234
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -24.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -325.235001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.235001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.235001 (E_RNA)
where:
Base-Base interactions energy: -225.198
where: short stacking energy: -93.282
Base-Backbone interact. energy: -0.471
local terms energy: -99.566221
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -25.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -288.298624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.298624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.298624 (E_RNA)
where:
Base-Base interactions energy: -178.190
where: short stacking energy: -92.831
Base-Backbone interact. energy: 0.080
local terms energy: -110.189327
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -24.337
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -24.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -272.893790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.893790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.893790 (E_RNA)
where:
Base-Base interactions energy: -169.098
where: short stacking energy: -81.241
Base-Backbone interact. energy: -0.203
local terms energy: -103.593017
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -255.446122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.446122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.446122 (E_RNA)
where:
Base-Base interactions energy: -163.411
where: short stacking energy: -79.535
Base-Backbone interact. energy: 0.859
local terms energy: -92.894882
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -23.590
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -231.922162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.922162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.922162 (E_RNA)
where:
Base-Base interactions energy: -149.277
where: short stacking energy: -69.820
Base-Backbone interact. energy: -0.068
local terms energy: -82.577792
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -251.723608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.723608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.723608 (E_RNA)
where:
Base-Base interactions energy: -159.715
where: short stacking energy: -65.510
Base-Backbone interact. energy: -0.546
local terms energy: -91.462891
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -189.060315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.060315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.060315 (E_RNA)
where:
Base-Base interactions energy: -105.486
where: short stacking energy: -54.031
Base-Backbone interact. energy: -0.443
local terms energy: -83.131745
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -23.617
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -192.407413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.407413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.407413 (E_RNA)
where:
Base-Base interactions energy: -122.163
where: short stacking energy: -64.885
Base-Backbone interact. energy: -0.134
local terms energy: -70.110662
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -367.401777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.401777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.401777 (E_RNA)
where:
Base-Base interactions energy: -254.270
where: short stacking energy: -118.679
Base-Backbone interact. energy: -0.010
local terms energy: -113.122278
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -33.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -348.656421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.656421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.656421 (E_RNA)
where:
Base-Base interactions energy: -235.195
where: short stacking energy: -93.360
Base-Backbone interact. energy: -0.863
local terms energy: -112.597690
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -25.759
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -26.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -323.903716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.903716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.903716 (E_RNA)
where:
Base-Base interactions energy: -224.532
where: short stacking energy: -92.240
Base-Backbone interact. energy: -0.291
local terms energy: -99.080545
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -22.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -291.918051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.918051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.918051 (E_RNA)
where:
Base-Base interactions energy: -187.537
where: short stacking energy: -94.168
Base-Backbone interact. energy: 1.584
local terms energy: -105.964734
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -276.173162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.173162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.173162 (E_RNA)
where:
Base-Base interactions energy: -173.799
where: short stacking energy: -87.331
Base-Backbone interact. energy: -0.005
local terms energy: -102.368465
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -216.299660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.299660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.299660 (E_RNA)
where:
Base-Base interactions energy: -131.992
where: short stacking energy: -65.852
Base-Backbone interact. energy: 1.636
local terms energy: -85.943858
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -13.587
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: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -246.778734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.778734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.778734 (E_RNA)
where:
Base-Base interactions energy: -158.327
where: short stacking energy: -69.197
Base-Backbone interact. energy: -0.229
local terms energy: -88.223347
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -224.203361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.203361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.203361 (E_RNA)
where:
Base-Base interactions energy: -133.852
where: short stacking energy: -69.615
Base-Backbone interact. energy: -0.315
local terms energy: -90.036482
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -193.021284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.021284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.021284 (E_RNA)
where:
Base-Base interactions energy: -102.530
where: short stacking energy: -51.096
Base-Backbone interact. energy: 0.738
local terms energy: -91.229522
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -14.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -189.107450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.107450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.107450 (E_RNA)
where:
Base-Base interactions energy: -122.364
where: short stacking energy: -58.229
Base-Backbone interact. energy: -0.426
local terms energy: -66.317341
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -354.236923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.236923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.236923 (E_RNA)
where:
Base-Base interactions energy: -240.676
where: short stacking energy: -96.373
Base-Backbone interact. energy: -0.348
local terms energy: -113.212610
where:
bonds (distance) C4'-P energy: -22.397
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -23.264
flat angles P-C4'-P energy: -19.123
tors. eta vs tors. theta energy: -26.809
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: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -364.181858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.181858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.181858 (E_RNA)
where:
Base-Base interactions energy: -241.265
where: short stacking energy: -102.940
Base-Backbone interact. energy: -0.049
local terms energy: -122.867837
where:
bonds (distance) C4'-P energy: -25.424
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -33.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -294.459092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.459092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.459092 (E_RNA)
where:
Base-Base interactions energy: -193.000
where: short stacking energy: -91.164
Base-Backbone interact. energy: -1.089
local terms energy: -100.369764
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -25.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -322.000271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.000271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.000271 (E_RNA)
where:
Base-Base interactions energy: -229.381
where: short stacking energy: -89.428
Base-Backbone interact. energy: -0.121
local terms energy: -92.498532
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -237.190530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.190530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.190530 (E_RNA)
where:
Base-Base interactions energy: -147.240
where: short stacking energy: -83.959
Base-Backbone interact. energy: -0.180
local terms energy: -89.771055
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -266.249590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.249590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.249590 (E_RNA)
where:
Base-Base interactions energy: -173.779
where: short stacking energy: -84.047
Base-Backbone interact. energy: -0.162
local terms energy: -92.308338
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -228.349999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.349999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.349999 (E_RNA)
where:
Base-Base interactions energy: -139.714
where: short stacking energy: -70.003
Base-Backbone interact. energy: -0.358
local terms energy: -88.278548
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -18.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -241.673469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.673469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.673469 (E_RNA)
where:
Base-Base interactions energy: -149.406
where: short stacking energy: -68.023
Base-Backbone interact. energy: -0.264
local terms energy: -92.003892
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -12.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -153.610725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.610725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.610725 (E_RNA)
where:
Base-Base interactions energy: -74.891
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.373
local terms energy: -78.345815
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -194.370058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.370058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.370058 (E_RNA)
where:
Base-Base interactions energy: -117.523
where: short stacking energy: -55.163
Base-Backbone interact. energy: -0.257
local terms energy: -76.590336
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -352.689892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.689892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.689892 (E_RNA)
where:
Base-Base interactions energy: -242.281
where: short stacking energy: -93.689
Base-Backbone interact. energy: -0.178
local terms energy: -110.230865
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: -25.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -360.569268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.569268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.569268 (E_RNA)
where:
Base-Base interactions energy: -245.841
where: short stacking energy: -96.256
Base-Backbone interact. energy: -0.740
local terms energy: -113.988261
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -26.463
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -31.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -299.410165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.410165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.410165 (E_RNA)
where:
Base-Base interactions energy: -193.319
where: short stacking energy: -89.239
Base-Backbone interact. energy: -0.167
local terms energy: -105.924217
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -21.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -327.392939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.392939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.392939 (E_RNA)
where:
Base-Base interactions energy: -219.869
where: short stacking energy: -92.033
Base-Backbone interact. energy: -0.485
local terms energy: -107.038467
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -18.623
tors. eta vs tors. theta energy: -23.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -235.604313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.604313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.604313 (E_RNA)
where:
Base-Base interactions energy: -166.064
where: short stacking energy: -70.080
Base-Backbone interact. energy: 0.628
local terms energy: -70.168853
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -210.690398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.690398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.690398 (E_RNA)
where:
Base-Base interactions energy: -118.534
where: short stacking energy: -63.268
Base-Backbone interact. energy: 0.014
local terms energy: -92.171034
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -9.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -250.711079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.711079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.711079 (E_RNA)
where:
Base-Base interactions energy: -166.027
where: short stacking energy: -74.615
Base-Backbone interact. energy: 0.563
local terms energy: -85.246553
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -127.717053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.717053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.717053 (E_RNA)
where:
Base-Base interactions energy: -58.531
where: short stacking energy: -40.700
Base-Backbone interact. energy: -0.304
local terms energy: -68.881744
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -199.109781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.109781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.109781 (E_RNA)
where:
Base-Base interactions energy: -117.679
where: short stacking energy: -57.959
Base-Backbone interact. energy: -0.300
local terms energy: -81.131286
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -197.844513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.844513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.844513 (E_RNA)
where:
Base-Base interactions energy: -133.846
where: short stacking energy: -56.716
Base-Backbone interact. energy: -0.477
local terms energy: -63.521693
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -4.480
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: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -374.183554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.183554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.183554 (E_RNA)
where:
Base-Base interactions energy: -261.484
where: short stacking energy: -107.030
Base-Backbone interact. energy: -0.044
local terms energy: -112.655553
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -33.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -343.461122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.461122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.461122 (E_RNA)
where:
Base-Base interactions energy: -223.068
where: short stacking energy: -91.640
Base-Backbone interact. energy: -0.673
local terms energy: -119.720010
where:
bonds (distance) C4'-P energy: -25.811
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -26.159
flat angles P-C4'-P energy: -19.458
tors. eta vs tors. theta energy: -27.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -331.375535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.375535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.375535 (E_RNA)
where:
Base-Base interactions energy: -216.294
where: short stacking energy: -103.888
Base-Backbone interact. energy: 1.611
local terms energy: -116.692546
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -25.484
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -29.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -309.205152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.205152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.205152 (E_RNA)
where:
Base-Base interactions energy: -197.361
where: short stacking energy: -94.331
Base-Backbone interact. energy: -0.107
local terms energy: -111.737162
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -24.780
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -28.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -220.875058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.875058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.875058 (E_RNA)
where:
Base-Base interactions energy: -135.454
where: short stacking energy: -64.705
Base-Backbone interact. energy: -0.094
local terms energy: -85.327243
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -228.687547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.687547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.687547 (E_RNA)
where:
Base-Base interactions energy: -129.934
where: short stacking energy: -71.350
Base-Backbone interact. energy: -0.339
local terms energy: -98.414202
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -27.672
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -249.738397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.738397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.738397 (E_RNA)
where:
Base-Base interactions energy: -154.929
where: short stacking energy: -75.874
Base-Backbone interact. energy: -0.143
local terms energy: -94.666110
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -114.505607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.505607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.505607 (E_RNA)
where:
Base-Base interactions energy: -43.098
where: short stacking energy: -42.880
Base-Backbone interact. energy: 0.508
local terms energy: -71.915715
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -256.009076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.009076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.009076 (E_RNA)
where:
Base-Base interactions energy: -163.480
where: short stacking energy: -77.168
Base-Backbone interact. energy: -0.697
local terms energy: -91.832250
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -193.012545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.012545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.012545 (E_RNA)
where:
Base-Base interactions energy: -122.282
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.138
local terms energy: -70.592039
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -366.574899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.574899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.574899 (E_RNA)
where:
Base-Base interactions energy: -243.745
where: short stacking energy: -108.530
Base-Backbone interact. energy: -0.038
local terms energy: -122.791220
where:
bonds (distance) C4'-P energy: -24.656
bonds (distance) P-C4' energy: -26.427
flat angles C4'-P-C4' energy: -25.062
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -31.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -333.074239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.074239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.074239 (E_RNA)
where:
Base-Base interactions energy: -223.698
where: short stacking energy: -110.796
Base-Backbone interact. energy: 2.347
local terms energy: -111.723189
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -27.589
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: -29.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -330.230181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.230181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.230181 (E_RNA)
where:
Base-Base interactions energy: -218.619
where: short stacking energy: -81.893
Base-Backbone interact. energy: -1.241
local terms energy: -110.369478
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -22.635
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: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -282.172094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.172094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.172094 (E_RNA)
where:
Base-Base interactions energy: -178.758
where: short stacking energy: -90.589
Base-Backbone interact. energy: -0.063
local terms energy: -103.351394
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -25.181
flat angles C4'-P-C4' energy: -25.715
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -24.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -239.040579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.040579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.040579 (E_RNA)
where:
Base-Base interactions energy: -147.054
where: short stacking energy: -82.697
Base-Backbone interact. energy: -0.299
local terms energy: -91.687762
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -25.130
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -237.544453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.544453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.544453 (E_RNA)
where:
Base-Base interactions energy: -142.000
where: short stacking energy: -65.562
Base-Backbone interact. energy: -0.652
local terms energy: -94.892097
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -211.312307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.312307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.312307 (E_RNA)
where:
Base-Base interactions energy: -127.433
where: short stacking energy: -56.013
Base-Backbone interact. energy: 0.541
local terms energy: -84.420272
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -206.402608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.402608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.402608 (E_RNA)
where:
Base-Base interactions energy: -129.427
where: short stacking energy: -70.089
Base-Backbone interact. energy: -0.837
local terms energy: -76.138202
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -10.381
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: 419
Temperature: 1.300000
Total energy: -107.328909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.328909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.328909 (E_RNA)
where:
Base-Base interactions energy: -45.819
where: short stacking energy: -38.405
Base-Backbone interact. energy: -0.164
local terms energy: -61.345677
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: 0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -190.172812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.172812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.172812 (E_RNA)
where:
Base-Base interactions energy: -118.207
where: short stacking energy: -54.155
Base-Backbone interact. energy: 1.579
local terms energy: -73.545047
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -368.229648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.229648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.229648 (E_RNA)
where:
Base-Base interactions energy: -252.875
where: short stacking energy: -107.246
Base-Backbone interact. energy: -0.204
local terms energy: -115.150472
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -33.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -345.396444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.396444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.396444 (E_RNA)
where:
Base-Base interactions energy: -226.589
where: short stacking energy: -113.939
Base-Backbone interact. energy: 0.339
local terms energy: -119.146520
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -29.374
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -31.388
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: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -336.451286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.451286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.451286 (E_RNA)
where:
Base-Base interactions energy: -242.352
where: short stacking energy: -92.000
Base-Backbone interact. energy: -0.556
local terms energy: -93.543185
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -25.080
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -21.352
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: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -286.761450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.761450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.761450 (E_RNA)
where:
Base-Base interactions energy: -180.821
where: short stacking energy: -84.122
Base-Backbone interact. energy: -0.033
local terms energy: -105.907676
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -25.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -280.924739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.924739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.924739 (E_RNA)
where:
Base-Base interactions energy: -173.216
where: short stacking energy: -91.567
Base-Backbone interact. energy: -0.911
local terms energy: -106.798133
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -25.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -248.727643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.727643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.727643 (E_RNA)
where:
Base-Base interactions energy: -161.001
where: short stacking energy: -75.937
Base-Backbone interact. energy: -0.421
local terms energy: -87.305910
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -19.641
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: 7, replica: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -222.324384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.324384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.324384 (E_RNA)
where:
Base-Base interactions energy: -132.791
where: short stacking energy: -72.637
Base-Backbone interact. energy: -1.191
local terms energy: -88.342599
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -20.836
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -227.089776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.089776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.089776 (E_RNA)
where:
Base-Base interactions energy: -150.188
where: short stacking energy: -67.593
Base-Backbone interact. energy: -0.369
local terms energy: -76.533207
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -198.519350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.519350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.519350 (E_RNA)
where:
Base-Base interactions energy: -126.341
where: short stacking energy: -56.349
Base-Backbone interact. energy: -0.221
local terms energy: -71.957367
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -20.001
flat angles P-C4'-P energy: -3.287
tors. eta vs tors. theta energy: -11.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -114.175597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.175597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.175597 (E_RNA)
where:
Base-Base interactions energy: -47.380
where: short stacking energy: -23.957
Base-Backbone interact. energy: -0.697
local terms energy: -66.097938
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: 1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -367.290654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.290654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.290654 (E_RNA)
where:
Base-Base interactions energy: -250.712
where: short stacking energy: -107.023
Base-Backbone interact. energy: -0.017
local terms energy: -116.562091
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -31.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -325.775609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.775609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.775609 (E_RNA)
where:
Base-Base interactions energy: -216.510
where: short stacking energy: -83.786
Base-Backbone interact. energy: -0.850
local terms energy: -108.415227
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -16.944
tors. eta vs tors. theta energy: -23.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -332.725775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.725775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.725775 (E_RNA)
where:
Base-Base interactions energy: -234.419
where: short stacking energy: -86.372
Base-Backbone interact. energy: -0.135
local terms energy: -98.172179
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -286.930842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.930842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.930842 (E_RNA)
where:
Base-Base interactions energy: -174.712
where: short stacking energy: -84.289
Base-Backbone interact. energy: -0.109
local terms energy: -112.109719
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -25.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -286.475972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.475972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.475972 (E_RNA)
where:
Base-Base interactions energy: -182.030
where: short stacking energy: -87.888
Base-Backbone interact. energy: -0.328
local terms energy: -104.117336
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -226.509030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.509030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.509030 (E_RNA)
where:
Base-Base interactions energy: -134.822
where: short stacking energy: -66.702
Base-Backbone interact. energy: -0.121
local terms energy: -91.566466
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -25.891
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -226.287168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.287168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.287168 (E_RNA)
where:
Base-Base interactions energy: -131.379
where: short stacking energy: -68.804
Base-Backbone interact. energy: -0.710
local terms energy: -94.197944
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -219.609933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.609933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.609933 (E_RNA)
where:
Base-Base interactions energy: -130.517
where: short stacking energy: -69.548
Base-Backbone interact. energy: -0.140
local terms energy: -88.953592
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -228.166247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.166247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.166247 (E_RNA)
where:
Base-Base interactions energy: -139.001
where: short stacking energy: -62.273
Base-Backbone interact. energy: -0.541
local terms energy: -88.624149
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -11.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -119.343636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.343636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.343636 (E_RNA)
where:
Base-Base interactions energy: -51.733
where: short stacking energy: -42.594
Base-Backbone interact. energy: -0.264
local terms energy: -67.347312
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -334.206753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.206753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.206753 (E_RNA)
where:
Base-Base interactions energy: -228.725
where: short stacking energy: -86.196
Base-Backbone interact. energy: -0.194
local terms energy: -105.287337
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -369.274396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.274396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.274396 (E_RNA)
where:
Base-Base interactions energy: -241.645
where: short stacking energy: -106.614
Base-Backbone interact. energy: -0.095
local terms energy: -127.534511
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -28.016
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -32.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -323.562184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.562184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.562184 (E_RNA)
where:
Base-Base interactions energy: -215.791
where: short stacking energy: -84.943
Base-Backbone interact. energy: -1.141
local terms energy: -106.629947
where:
bonds (distance) C4'-P energy: -24.782
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -283.842211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.842211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.842211 (E_RNA)
where:
Base-Base interactions energy: -180.932
where: short stacking energy: -92.996
Base-Backbone interact. energy: -0.101
local terms energy: -102.809830
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -27.769
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -24.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -246.781238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.781238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.781238 (E_RNA)
where:
Base-Base interactions energy: -146.409
where: short stacking energy: -83.298
Base-Backbone interact. energy: -0.043
local terms energy: -100.328931
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -16.081
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: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -288.858929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.858929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.858929 (E_RNA)
where:
Base-Base interactions energy: -190.498
where: short stacking energy: -86.101
Base-Backbone interact. energy: -0.556
local terms energy: -97.805796
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -23.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -221.322579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.322579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.322579 (E_RNA)
where:
Base-Base interactions energy: -137.862
where: short stacking energy: -65.766
Base-Backbone interact. energy: 0.237
local terms energy: -83.697467
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -25.571
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -211.965910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.965910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.965910 (E_RNA)
where:
Base-Base interactions energy: -130.118
where: short stacking energy: -60.201
Base-Backbone interact. energy: -0.147
local terms energy: -81.700773
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -236.457558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.457558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.457558 (E_RNA)
where:
Base-Base interactions energy: -158.809
where: short stacking energy: -71.844
Base-Backbone interact. energy: -0.137
local terms energy: -77.511994
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -116.576826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.576826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.576826 (E_RNA)
where:
Base-Base interactions energy: -53.672
where: short stacking energy: -30.812
Base-Backbone interact. energy: -0.531
local terms energy: -62.373723
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -333.079450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.079450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.079450 (E_RNA)
where:
Base-Base interactions energy: -226.748
where: short stacking energy: -89.215
Base-Backbone interact. energy: -0.176
local terms energy: -106.155241
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -366.371571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.371571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.371571 (E_RNA)
where:
Base-Base interactions energy: -242.877
where: short stacking energy: -107.403
Base-Backbone interact. energy: -0.027
local terms energy: -123.467395
where:
bonds (distance) C4'-P energy: -25.819
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -31.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -301.282659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.282659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.282659 (E_RNA)
where:
Base-Base interactions energy: -212.925
where: short stacking energy: -86.141
Base-Backbone interact. energy: 1.188
local terms energy: -89.545789
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -15.771
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: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -296.961547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.961547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.961547 (E_RNA)
where:
Base-Base interactions energy: -184.230
where: short stacking energy: -96.621
Base-Backbone interact. energy: -0.315
local terms energy: -112.417297
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -29.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -245.663572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.663572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.663572 (E_RNA)
where:
Base-Base interactions energy: -155.828
where: short stacking energy: -82.256
Base-Backbone interact. energy: 4.175
local terms energy: -94.010958
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -19.526
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: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -265.194007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.194007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.194007 (E_RNA)
where:
Base-Base interactions energy: -179.391
where: short stacking energy: -87.548
Base-Backbone interact. energy: -0.368
local terms energy: -85.435574
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -265.298097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.298097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.298097 (E_RNA)
where:
Base-Base interactions energy: -171.223
where: short stacking energy: -84.350
Base-Backbone interact. energy: -0.002
local terms energy: -94.072739
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -24.298
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -240.884989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.884989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.884989 (E_RNA)
where:
Base-Base interactions energy: -160.316
where: short stacking energy: -75.771
Base-Backbone interact. energy: -0.406
local terms energy: -80.163189
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -15.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -218.365210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.365210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.365210 (E_RNA)
where:
Base-Base interactions energy: -144.098
where: short stacking energy: -64.979
Base-Backbone interact. energy: 3.015
local terms energy: -77.282422
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -23.073
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -110.870501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.870501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.870501 (E_RNA)
where:
Base-Base interactions energy: -41.481
where: short stacking energy: -36.066
Base-Backbone interact. energy: 0.027
local terms energy: -69.416328
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: 1.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -342.918744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.918744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.918744 (E_RNA)
where:
Base-Base interactions energy: -240.373
where: short stacking energy: -81.005
Base-Backbone interact. energy: -0.620
local terms energy: -101.925919
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -22.693
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -359.160860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.160860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.160860 (E_RNA)
where:
Base-Base interactions energy: -248.040
where: short stacking energy: -116.171
Base-Backbone interact. energy: -0.289
local terms energy: -110.831642
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -34.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -315.223998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.223998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.223998 (E_RNA)
where:
Base-Base interactions energy: -219.415
where: short stacking energy: -95.148
Base-Backbone interact. energy: -0.505
local terms energy: -95.304171
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -23.932
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -290.091580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.091580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.091580 (E_RNA)
where:
Base-Base interactions energy: -184.385
where: short stacking energy: -87.064
Base-Backbone interact. energy: -0.052
local terms energy: -105.654562
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -24.271
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -283.965154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.965154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.965154 (E_RNA)
where:
Base-Base interactions energy: -172.342
where: short stacking energy: -84.726
Base-Backbone interact. energy: 0.005
local terms energy: -111.628439
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -277.457740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.457740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.457740 (E_RNA)
where:
Base-Base interactions energy: -179.034
where: short stacking energy: -79.168
Base-Backbone interact. energy: -1.514
local terms energy: -96.909657
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -25.377
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -261.044400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.044400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.044400 (E_RNA)
where:
Base-Base interactions energy: -173.049
where: short stacking energy: -78.274
Base-Backbone interact. energy: -0.126
local terms energy: -87.869162
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -19.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -243.526319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.526319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.526319 (E_RNA)
where:
Base-Base interactions energy: -160.142
where: short stacking energy: -73.387
Base-Backbone interact. energy: 1.152
local terms energy: -84.535897
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -23.425
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -199.274946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.274946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.274946 (E_RNA)
where:
Base-Base interactions energy: -125.935
where: short stacking energy: -58.172
Base-Backbone interact. energy: -0.314
local terms energy: -73.026148
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -12.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -95.442378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.442378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.442378 (E_RNA)
where:
Base-Base interactions energy: -34.917
where: short stacking energy: -21.708
Base-Backbone interact. energy: 0.680
local terms energy: -61.205739
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -349.199333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.199333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.199333 (E_RNA)
where:
Base-Base interactions energy: -238.074
where: short stacking energy: -103.029
Base-Backbone interact. energy: -1.651
local terms energy: -109.474010
where:
bonds (distance) C4'-P energy: -23.415
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -23.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -367.193209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.193209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.193209 (E_RNA)
where:
Base-Base interactions energy: -246.669
where: short stacking energy: -110.908
Base-Backbone interact. energy: -0.114
local terms energy: -120.410124
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -24.616
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -36.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -301.016094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.016094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.016094 (E_RNA)
where:
Base-Base interactions energy: -199.193
where: short stacking energy: -79.251
Base-Backbone interact. energy: -0.674
local terms energy: -101.149660
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -17.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -272.781637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.781637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.781637 (E_RNA)
where:
Base-Base interactions energy: -173.631
where: short stacking energy: -82.329
Base-Backbone interact. energy: -0.110
local terms energy: -99.039710
where:
bonds (distance) C4'-P energy: -20.020
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -280.362418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.362418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.362418 (E_RNA)
where:
Base-Base interactions energy: -177.497
where: short stacking energy: -84.396
Base-Backbone interact. energy: -0.113
local terms energy: -102.752271
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -278.419907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.419907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.419907 (E_RNA)
where:
Base-Base interactions energy: -175.705
where: short stacking energy: -79.716
Base-Backbone interact. energy: -0.599
local terms energy: -102.115809
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -23.710
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -274.763419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.763419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.763419 (E_RNA)
where:
Base-Base interactions energy: -185.474
where: short stacking energy: -73.580
Base-Backbone interact. energy: -0.599
local terms energy: -88.690322
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -207.236562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.236562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.236562 (E_RNA)
where:
Base-Base interactions energy: -136.204
where: short stacking energy: -72.592
Base-Backbone interact. energy: 2.970
local terms energy: -74.002698
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -235.917088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.917088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.917088 (E_RNA)
where:
Base-Base interactions energy: -151.765
where: short stacking energy: -66.094
Base-Backbone interact. energy: -0.174
local terms energy: -83.978432
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -115.211353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.211353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.211353 (E_RNA)
where:
Base-Base interactions energy: -51.187
where: short stacking energy: -41.953
Base-Backbone interact. energy: -0.302
local terms energy: -63.722811
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -368.675511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.675511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.675511 (E_RNA)
where:
Base-Base interactions energy: -247.635
where: short stacking energy: -109.807
Base-Backbone interact. energy: -0.032
local terms energy: -121.008680
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -31.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -354.674233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.674233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.674233 (E_RNA)
where:
Base-Base interactions energy: -233.403
where: short stacking energy: -107.752
Base-Backbone interact. energy: 0.419
local terms energy: -121.690226
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -25.197
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -29.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -302.731562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.731562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.731562 (E_RNA)
where:
Base-Base interactions energy: -207.053
where: short stacking energy: -85.203
Base-Backbone interact. energy: -0.732
local terms energy: -94.946288
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -24.403
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -279.107739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.107739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.107739 (E_RNA)
where:
Base-Base interactions energy: -184.669
where: short stacking energy: -82.526
Base-Backbone interact. energy: -0.241
local terms energy: -94.197637
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -21.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -282.215246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.215246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.215246 (E_RNA)
where:
Base-Base interactions energy: -176.739
where: short stacking energy: -76.837
Base-Backbone interact. energy: -0.948
local terms energy: -104.528252
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -23.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -265.776765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.776765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.776765 (E_RNA)
where:
Base-Base interactions energy: -171.860
where: short stacking energy: -85.341
Base-Backbone interact. energy: 0.134
local terms energy: -94.050640
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -18.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -251.655825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.655825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.655825 (E_RNA)
where:
Base-Base interactions energy: -160.152
where: short stacking energy: -77.343
Base-Backbone interact. energy: -0.270
local terms energy: -91.233476
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -19.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -200.376120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.376120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.376120 (E_RNA)
where:
Base-Base interactions energy: -122.454
where: short stacking energy: -71.406
Base-Backbone interact. energy: 0.697
local terms energy: -78.619284
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -10.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -257.621646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.621646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.621646 (E_RNA)
where:
Base-Base interactions energy: -170.182
where: short stacking energy: -61.516
Base-Backbone interact. energy: -0.180
local terms energy: -87.259130
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -103.920397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.920397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.920397 (E_RNA)
where:
Base-Base interactions energy: -45.606
where: short stacking energy: -35.111
Base-Backbone interact. energy: -0.355
local terms energy: -57.959133
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: 0.489
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -371.025300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.025300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.025300 (E_RNA)
where:
Base-Base interactions energy: -255.341
where: short stacking energy: -111.958
Base-Backbone interact. energy: -0.264
local terms energy: -115.420650
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -30.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -357.092474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.092474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.092474 (E_RNA)
where:
Base-Base interactions energy: -244.038
where: short stacking energy: -105.943
Base-Backbone interact. energy: -0.558
local terms energy: -112.496656
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -30.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -319.826125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.826125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.826125 (E_RNA)
where:
Base-Base interactions energy: -222.447
where: short stacking energy: -102.646
Base-Backbone interact. energy: -0.192
local terms energy: -97.187734
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -23.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -289.280234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.280234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.280234 (E_RNA)
where:
Base-Base interactions energy: -198.012
where: short stacking energy: -74.408
Base-Backbone interact. energy: -1.753
local terms energy: -89.514799
where:
bonds (distance) C4'-P energy: -25.212
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -284.595637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.595637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.595637 (E_RNA)
where:
Base-Base interactions energy: -196.198
where: short stacking energy: -77.080
Base-Backbone interact. energy: -1.277
local terms energy: -87.120881
where:
bonds (distance) C4'-P energy: -21.834
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -246.354209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.354209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.354209 (E_RNA)
where:
Base-Base interactions energy: -147.488
where: short stacking energy: -76.428
Base-Backbone interact. energy: -1.812
local terms energy: -97.054397
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -21.868
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -271.245371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.245371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.245371 (E_RNA)
where:
Base-Base interactions energy: -178.810
where: short stacking energy: -77.970
Base-Backbone interact. energy: -0.165
local terms energy: -92.270500
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -253.882140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.882140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.882140 (E_RNA)
where:
Base-Base interactions energy: -163.206
where: short stacking energy: -75.892
Base-Backbone interact. energy: -0.709
local terms energy: -89.966960
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -216.267203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.267203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.267203 (E_RNA)
where:
Base-Base interactions energy: -143.212
where: short stacking energy: -57.173
Base-Backbone interact. energy: -0.900
local terms energy: -72.155395
where:
bonds (distance) C4'-P energy: -25.178
bonds (distance) P-C4' energy: -9.133
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -103.381513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.381513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.381513 (E_RNA)
where:
Base-Base interactions energy: -38.574
where: short stacking energy: -38.574
Base-Backbone interact. energy: -0.234
local terms energy: -64.573683
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: 1.988
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: 1, replica: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -346.026696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.026696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.026696 (E_RNA)
where:
Base-Base interactions energy: -235.763
where: short stacking energy: -98.219
Base-Backbone interact. energy: -0.273
local terms energy: -109.990226
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -27.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -362.473019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.473019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.473019 (E_RNA)
where:
Base-Base interactions energy: -249.575
where: short stacking energy: -114.258
Base-Backbone interact. energy: -0.007
local terms energy: -112.891106
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -33.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -314.995183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.995183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.995183 (E_RNA)
where:
Base-Base interactions energy: -203.438
where: short stacking energy: -91.970
Base-Backbone interact. energy: -0.781
local terms energy: -110.776139
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -24.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -289.296510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.296510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.296510 (E_RNA)
where:
Base-Base interactions energy: -188.111
where: short stacking energy: -91.880
Base-Backbone interact. energy: -0.719
local terms energy: -100.466433
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -274.429216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.429216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.429216 (E_RNA)
where:
Base-Base interactions energy: -177.246
where: short stacking energy: -88.029
Base-Backbone interact. energy: -0.375
local terms energy: -96.808505
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -25.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -238.773277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.773277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.773277 (E_RNA)
where:
Base-Base interactions energy: -151.959
where: short stacking energy: -65.068
Base-Backbone interact. energy: 1.425
local terms energy: -88.238614
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -9.378
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: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -287.571623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.571623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.571623 (E_RNA)
where:
Base-Base interactions energy: -184.494
where: short stacking energy: -77.550
Base-Backbone interact. energy: -0.106
local terms energy: -102.970972
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -24.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -256.546501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.546501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.546501 (E_RNA)
where:
Base-Base interactions energy: -157.739
where: short stacking energy: -74.444
Base-Backbone interact. energy: -0.129
local terms energy: -98.678214
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -258.621154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.621154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.621154 (E_RNA)
where:
Base-Base interactions energy: -161.650
where: short stacking energy: -70.777
Base-Backbone interact. energy: 0.003
local terms energy: -96.973712
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -137.410757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.410757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.410757 (E_RNA)
where:
Base-Base interactions energy: -56.764
where: short stacking energy: -39.737
Base-Backbone interact. energy: 0.184
local terms energy: -80.830397
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -25.568
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -358.712615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.712615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.712615 (E_RNA)
where:
Base-Base interactions energy: -248.534
where: short stacking energy: -93.572
Base-Backbone interact. energy: -0.592
local terms energy: -109.586230
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -22.772
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: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -365.472133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.472133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.472133 (E_RNA)
where:
Base-Base interactions energy: -245.820
where: short stacking energy: -108.451
Base-Backbone interact. energy: -0.754
local terms energy: -118.898279
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -24.696
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -33.982
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: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -300.917753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.917753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.917753 (E_RNA)
where:
Base-Base interactions energy: -192.364
where: short stacking energy: -106.622
Base-Backbone interact. energy: -0.275
local terms energy: -108.278415
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -22.327
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -31.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -284.024067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.024067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.024067 (E_RNA)
where:
Base-Base interactions energy: -179.756
where: short stacking energy: -95.753
Base-Backbone interact. energy: 0.002
local terms energy: -104.270615
where:
bonds (distance) C4'-P energy: -21.851
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -26.388
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: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -273.606116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.606116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.606116 (E_RNA)
where:
Base-Base interactions energy: -174.564
where: short stacking energy: -73.194
Base-Backbone interact. energy: -0.210
local terms energy: -98.832097
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -17.918
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: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -290.979557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.979557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.979557 (E_RNA)
where:
Base-Base interactions energy: -192.834
where: short stacking energy: -82.021
Base-Backbone interact. energy: -0.292
local terms energy: -97.853293
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -21.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -220.355333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.355333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.355333 (E_RNA)
where:
Base-Base interactions energy: -138.375
where: short stacking energy: -75.398
Base-Backbone interact. energy: -0.235
local terms energy: -81.744610
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -14.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -248.119828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.119828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.119828 (E_RNA)
where:
Base-Base interactions energy: -158.652
where: short stacking energy: -63.478
Base-Backbone interact. energy: -0.098
local terms energy: -89.369024
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -24.204
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -230.535004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.535004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.535004 (E_RNA)
where:
Base-Base interactions energy: -149.884
where: short stacking energy: -67.351
Base-Backbone interact. energy: -0.130
local terms energy: -80.520262
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -111.848086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.848086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.848086 (E_RNA)
where:
Base-Base interactions energy: -31.307
where: short stacking energy: -27.287
Base-Backbone interact. energy: -0.255
local terms energy: -80.286021
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -362.077585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.077585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.077585 (E_RNA)
where:
Base-Base interactions energy: -241.731
where: short stacking energy: -102.660
Base-Backbone interact. energy: -0.021
local terms energy: -120.325606
where:
bonds (distance) C4'-P energy: -24.532
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -29.456
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: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -363.922348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.922348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.922348 (E_RNA)
where:
Base-Base interactions energy: -254.132
where: short stacking energy: -91.441
Base-Backbone interact. energy: -0.558
local terms energy: -109.232331
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -25.839
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -24.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -307.819446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.819446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.819446 (E_RNA)
where:
Base-Base interactions energy: -204.399
where: short stacking energy: -84.864
Base-Backbone interact. energy: -0.190
local terms energy: -103.230172
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -23.093
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -25.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -286.475296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.475296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.475296 (E_RNA)
where:
Base-Base interactions energy: -183.242
where: short stacking energy: -72.029
Base-Backbone interact. energy: 0.786
local terms energy: -104.019426
where:
bonds (distance) C4'-P energy: -26.424
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -268.025046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.025046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.025046 (E_RNA)
where:
Base-Base interactions energy: -188.201
where: short stacking energy: -69.379
Base-Backbone interact. energy: -0.850
local terms energy: -78.974085
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -9.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -267.260821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.260821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.260821 (E_RNA)
where:
Base-Base interactions energy: -180.950
where: short stacking energy: -74.209
Base-Backbone interact. energy: -0.631
local terms energy: -85.680215
where:
bonds (distance) C4'-P energy: -25.256
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -240.040002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.040002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.040002 (E_RNA)
where:
Base-Base interactions energy: -138.547
where: short stacking energy: -63.211
Base-Backbone interact. energy: -0.311
local terms energy: -101.181539
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -209.134048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.134048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.134048 (E_RNA)
where:
Base-Base interactions energy: -126.044
where: short stacking energy: -62.023
Base-Backbone interact. energy: -0.556
local terms energy: -82.534152
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -241.965916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.965916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.965916 (E_RNA)
where:
Base-Base interactions energy: -154.203
where: short stacking energy: -69.762
Base-Backbone interact. energy: -0.575
local terms energy: -87.187363
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -101.108277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.108277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.108277 (E_RNA)
where:
Base-Base interactions energy: -36.318
where: short stacking energy: -27.832
Base-Backbone interact. energy: -1.283
local terms energy: -63.507968
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -24.125
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: 4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -371.758056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.758056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.758056 (E_RNA)
where:
Base-Base interactions energy: -258.871
where: short stacking energy: -109.235
Base-Backbone interact. energy: -0.023
local terms energy: -112.864376
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -30.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -364.284070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.284070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.284070 (E_RNA)
where:
Base-Base interactions energy: -253.355
where: short stacking energy: -97.871
Base-Backbone interact. energy: -1.223
local terms energy: -109.706244
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -29.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -298.632759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.632759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.632759 (E_RNA)
where:
Base-Base interactions energy: -200.032
where: short stacking energy: -84.433
Base-Backbone interact. energy: -0.383
local terms energy: -98.218053
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -280.839439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.839439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.839439 (E_RNA)
where:
Base-Base interactions energy: -180.791
where: short stacking energy: -81.927
Base-Backbone interact. energy: -1.355
local terms energy: -98.693236
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -24.760
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -289.702483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.702483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.702483 (E_RNA)
where:
Base-Base interactions energy: -188.695
where: short stacking energy: -81.293
Base-Backbone interact. energy: -0.089
local terms energy: -100.918575
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -12.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -277.736793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.736793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.736793 (E_RNA)
where:
Base-Base interactions energy: -181.539
where: short stacking energy: -80.248
Base-Backbone interact. energy: -0.945
local terms energy: -95.252865
where:
bonds (distance) C4'-P energy: -23.992
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -246.553166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.553166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.553166 (E_RNA)
where:
Base-Base interactions energy: -151.226
where: short stacking energy: -71.755
Base-Backbone interact. energy: -1.088
local terms energy: -94.238918
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -241.672255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.672255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.672255 (E_RNA)
where:
Base-Base interactions energy: -155.877
where: short stacking energy: -68.776
Base-Backbone interact. energy: -0.101
local terms energy: -85.694168
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -238.615394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.615394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.615394 (E_RNA)
where:
Base-Base interactions energy: -151.070
where: short stacking energy: -72.054
Base-Backbone interact. energy: -0.232
local terms energy: -87.313183
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -15.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -103.544364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.544364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.544364 (E_RNA)
where:
Base-Base interactions energy: -38.291
where: short stacking energy: -33.928
Base-Backbone interact. energy: -0.015
local terms energy: -65.238027
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: 1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -359.520419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.520419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.520419 (E_RNA)
where:
Base-Base interactions energy: -245.650
where: short stacking energy: -90.415
Base-Backbone interact. energy: -1.693
local terms energy: -112.177842
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -27.935
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -29.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -357.043248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.043248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.043248 (E_RNA)
where:
Base-Base interactions energy: -233.256
where: short stacking energy: -96.299
Base-Backbone interact. energy: -0.122
local terms energy: -123.665933
where:
bonds (distance) C4'-P energy: -21.929
bonds (distance) P-C4' energy: -25.465
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -32.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -294.074164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.074164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.074164 (E_RNA)
where:
Base-Base interactions energy: -198.699
where: short stacking energy: -91.957
Base-Backbone interact. energy: 0.126
local terms energy: -95.501361
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -24.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -279.915215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.915215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.915215 (E_RNA)
where:
Base-Base interactions energy: -180.101
where: short stacking energy: -89.459
Base-Backbone interact. energy: -0.082
local terms energy: -99.731691
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -25.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -275.886414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.886414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.886414 (E_RNA)
where:
Base-Base interactions energy: -169.983
where: short stacking energy: -79.482
Base-Backbone interact. energy: -0.392
local terms energy: -105.511083
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -24.305
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -21.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -263.652576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.652576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.652576 (E_RNA)
where:
Base-Base interactions energy: -171.315
where: short stacking energy: -68.386
Base-Backbone interact. energy: 0.357
local terms energy: -92.694224
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -264.027778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.027778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.027778 (E_RNA)
where:
Base-Base interactions energy: -168.037
where: short stacking energy: -76.721
Base-Backbone interact. energy: -0.266
local terms energy: -95.724524
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -246.287371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.287371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.287371 (E_RNA)
where:
Base-Base interactions energy: -167.598
where: short stacking energy: -82.255
Base-Backbone interact. energy: -0.272
local terms energy: -78.417116
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -22.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -254.535380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.535380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.535380 (E_RNA)
where:
Base-Base interactions energy: -162.493
where: short stacking energy: -73.846
Base-Backbone interact. energy: -0.233
local terms energy: -91.810105
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -121.334396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.334396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.334396 (E_RNA)
where:
Base-Base interactions energy: -44.253
where: short stacking energy: -36.353
Base-Backbone interact. energy: -0.180
local terms energy: -76.901434
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -21.767
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -366.717338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.717338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.717338 (E_RNA)
where:
Base-Base interactions energy: -259.121
where: short stacking energy: -97.870
Base-Backbone interact. energy: -0.969
local terms energy: -106.627202
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -27.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -368.750336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.750336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.750336 (E_RNA)
where:
Base-Base interactions energy: -249.043
where: short stacking energy: -101.449
Base-Backbone interact. energy: -0.117
local terms energy: -119.590326
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -26.251
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -33.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -288.675035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.675035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.675035 (E_RNA)
where:
Base-Base interactions energy: -192.983
where: short stacking energy: -96.646
Base-Backbone interact. energy: -0.815
local terms energy: -94.877708
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -289.619481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.619481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.619481 (E_RNA)
where:
Base-Base interactions energy: -183.324
where: short stacking energy: -84.165
Base-Backbone interact. energy: -0.749
local terms energy: -105.546814
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -22.300
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: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -271.610434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.610434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.610434 (E_RNA)
where:
Base-Base interactions energy: -173.492
where: short stacking energy: -84.229
Base-Backbone interact. energy: -0.037
local terms energy: -98.082198
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -262.233593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.233593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.233593 (E_RNA)
where:
Base-Base interactions energy: -175.817
where: short stacking energy: -68.212
Base-Backbone interact. energy: -0.122
local terms energy: -86.295402
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -267.170573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.170573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.170573 (E_RNA)
where:
Base-Base interactions energy: -172.694
where: short stacking energy: -88.366
Base-Backbone interact. energy: -0.488
local terms energy: -93.988364
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -243.770709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.770709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.770709 (E_RNA)
where:
Base-Base interactions energy: -163.475
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.509
local terms energy: -79.786748
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -216.809029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.809029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.809029 (E_RNA)
where:
Base-Base interactions energy: -126.577
where: short stacking energy: -62.294
Base-Backbone interact. energy: -0.420
local terms energy: -89.812498
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -115.286439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.286439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.286439 (E_RNA)
where:
Base-Base interactions energy: -61.372
where: short stacking energy: -28.712
Base-Backbone interact. energy: -0.514
local terms energy: -53.400237
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: 5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -368.690310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.690310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.690310 (E_RNA)
where:
Base-Base interactions energy: -253.383
where: short stacking energy: -107.724
Base-Backbone interact. energy: 0.087
local terms energy: -115.394559
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -31.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -360.009880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.009880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.009880 (E_RNA)
where:
Base-Base interactions energy: -250.209
where: short stacking energy: -90.249
Base-Backbone interact. energy: -1.522
local terms energy: -108.278398
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -27.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -318.267725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.267725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.267725 (E_RNA)
where:
Base-Base interactions energy: -211.794
where: short stacking energy: -94.264
Base-Backbone interact. energy: -0.394
local terms energy: -106.079648
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -28.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -290.141879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.141879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.141879 (E_RNA)
where:
Base-Base interactions energy: -188.647
where: short stacking energy: -94.754
Base-Backbone interact. energy: -0.088
local terms energy: -101.407054
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -24.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -270.498770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.498770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.498770 (E_RNA)
where:
Base-Base interactions energy: -170.073
where: short stacking energy: -71.515
Base-Backbone interact. energy: -0.554
local terms energy: -99.872182
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -25.720
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -17.994
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: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -272.923352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.923352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.923352 (E_RNA)
where:
Base-Base interactions energy: -178.491
where: short stacking energy: -97.877
Base-Backbone interact. energy: -0.287
local terms energy: -94.145498
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -263.893686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.893686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.893686 (E_RNA)
where:
Base-Base interactions energy: -185.204
where: short stacking energy: -70.241
Base-Backbone interact. energy: 0.334
local terms energy: -79.023610
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -228.227425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.227425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.227425 (E_RNA)
where:
Base-Base interactions energy: -145.745
where: short stacking energy: -64.074
Base-Backbone interact. energy: -0.087
local terms energy: -82.395390
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -159.829530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.829530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.829530 (E_RNA)
where:
Base-Base interactions energy: -85.305
where: short stacking energy: -44.184
Base-Backbone interact. energy: -0.400
local terms energy: -74.125332
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -20.232
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: 0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -211.966057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.966057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.966057 (E_RNA)
where:
Base-Base interactions energy: -140.392
where: short stacking energy: -61.840
Base-Backbone interact. energy: 0.680
local terms energy: -72.254244
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -376.253609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.253609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.253609 (E_RNA)
where:
Base-Base interactions energy: -251.387
where: short stacking energy: -107.424
Base-Backbone interact. energy: -0.086
local terms energy: -124.780159
where:
bonds (distance) C4'-P energy: -24.357
bonds (distance) P-C4' energy: -25.428
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -32.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -363.602468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.602468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.602468 (E_RNA)
where:
Base-Base interactions energy: -256.675
where: short stacking energy: -96.481
Base-Backbone interact. energy: -0.542
local terms energy: -106.385891
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -26.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -292.592545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.592545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.592545 (E_RNA)
where:
Base-Base interactions energy: -188.754
where: short stacking energy: -95.831
Base-Backbone interact. energy: -0.207
local terms energy: -103.631299
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -25.951
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -25.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -286.353288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.353288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.353288 (E_RNA)
where:
Base-Base interactions energy: -178.118
where: short stacking energy: -82.913
Base-Backbone interact. energy: -0.643
local terms energy: -107.592132
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -23.657
flat angles C4'-P-C4' energy: -24.661
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -22.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -264.557846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.557846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.557846 (E_RNA)
where:
Base-Base interactions energy: -161.634
where: short stacking energy: -82.345
Base-Backbone interact. energy: -0.312
local terms energy: -102.612019
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -25.450
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -278.114296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.114296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.114296 (E_RNA)
where:
Base-Base interactions energy: -187.702
where: short stacking energy: -70.498
Base-Backbone interact. energy: 0.602
local terms energy: -91.013648
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -17.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -262.645998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.645998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.645998 (E_RNA)
where:
Base-Base interactions energy: -171.460
where: short stacking energy: -81.521
Base-Backbone interact. energy: -0.584
local terms energy: -90.602143
where:
bonds (distance) C4'-P energy: -22.609
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -249.107861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.107861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.107861 (E_RNA)
where:
Base-Base interactions energy: -158.301
where: short stacking energy: -71.819
Base-Backbone interact. energy: -0.113
local terms energy: -90.694530
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -221.512781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.512781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.512781 (E_RNA)
where:
Base-Base interactions energy: -135.081
where: short stacking energy: -59.734
Base-Backbone interact. energy: -0.623
local terms energy: -85.808988
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -177.775146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.775146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.775146 (E_RNA)
where:
Base-Base interactions energy: -103.410
where: short stacking energy: -45.190
Base-Backbone interact. energy: -0.269
local terms energy: -74.096219
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -368.242602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.242602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.242602 (E_RNA)
where:
Base-Base interactions energy: -256.766
where: short stacking energy: -99.968
Base-Backbone interact. energy: -0.398
local terms energy: -111.078525
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -24.739
flat angles C4'-P-C4' energy: -27.241
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -27.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -359.706990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.706990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.706990 (E_RNA)
where:
Base-Base interactions energy: -239.516
where: short stacking energy: -109.913
Base-Backbone interact. energy: -0.469
local terms energy: -119.721506
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -36.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -293.564672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.564672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.564672 (E_RNA)
where:
Base-Base interactions energy: -189.546
where: short stacking energy: -95.439
Base-Backbone interact. energy: -0.288
local terms energy: -103.731195
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -24.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -297.695668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.695668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.695668 (E_RNA)
where:
Base-Base interactions energy: -192.817
where: short stacking energy: -95.228
Base-Backbone interact. energy: -0.047
local terms energy: -104.831863
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -25.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -289.655660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.655660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.655660 (E_RNA)
where:
Base-Base interactions energy: -200.087
where: short stacking energy: -82.819
Base-Backbone interact. energy: -0.021
local terms energy: -89.548271
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -24.608
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -275.734216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.734216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.734216 (E_RNA)
where:
Base-Base interactions energy: -178.108
where: short stacking energy: -80.720
Base-Backbone interact. energy: -0.795
local terms energy: -96.831406
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -262.772737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.772737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.772737 (E_RNA)
where:
Base-Base interactions energy: -162.120
where: short stacking energy: -75.771
Base-Backbone interact. energy: -0.057
local terms energy: -100.596430
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -26.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -259.434178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.434178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.434178 (E_RNA)
where:
Base-Base interactions energy: -169.764
where: short stacking energy: -70.770
Base-Backbone interact. energy: -0.857
local terms energy: -88.813295
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -190.895991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.895991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.895991 (E_RNA)
where:
Base-Base interactions energy: -123.816
where: short stacking energy: -55.986
Base-Backbone interact. energy: -0.434
local terms energy: -66.645782
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -10.653
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -244.373153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.373153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.373153 (E_RNA)
where:
Base-Base interactions energy: -157.598
where: short stacking energy: -68.266
Base-Backbone interact. energy: -1.067
local terms energy: -85.708153
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -16.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -375.749809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.749809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.749809 (E_RNA)
where:
Base-Base interactions energy: -252.988
where: short stacking energy: -97.527
Base-Backbone interact. energy: -1.439
local terms energy: -121.322840
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -25.440
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -19.391
tors. eta vs tors. theta energy: -26.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -305.814665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.814665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.814665 (E_RNA)
where:
Base-Base interactions energy: -200.404
where: short stacking energy: -102.722
Base-Backbone interact. energy: -0.386
local terms energy: -105.024206
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -24.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -358.594008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.594008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.594008 (E_RNA)
where:
Base-Base interactions energy: -236.826
where: short stacking energy: -109.847
Base-Backbone interact. energy: -0.797
local terms energy: -120.970605
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -34.293
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: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -293.561469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.561469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.561469 (E_RNA)
where:
Base-Base interactions energy: -191.435
where: short stacking energy: -79.117
Base-Backbone interact. energy: -0.149
local terms energy: -101.977420
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -24.261
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -275.702114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.702114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.702114 (E_RNA)
where:
Base-Base interactions energy: -177.654
where: short stacking energy: -86.122
Base-Backbone interact. energy: -0.107
local terms energy: -97.941167
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -272.778111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.778111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.778111 (E_RNA)
where:
Base-Base interactions energy: -177.118
where: short stacking energy: -88.304
Base-Backbone interact. energy: -0.476
local terms energy: -95.184403
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -253.767138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.767138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.767138 (E_RNA)
where:
Base-Base interactions energy: -152.320
where: short stacking energy: -74.388
Base-Backbone interact. energy: -0.455
local terms energy: -100.991767
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -18.770
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -212.303469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.303469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.303469 (E_RNA)
where:
Base-Base interactions energy: -135.749
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.419
local terms energy: -76.136312
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -14.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -203.351032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.351032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.351032 (E_RNA)
where:
Base-Base interactions energy: -119.755
where: short stacking energy: -57.594
Base-Backbone interact. energy: 3.512
local terms energy: -87.108275
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -15.049
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: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -187.007949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.007949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.007949 (E_RNA)
where:
Base-Base interactions energy: -123.063
where: short stacking energy: -53.960
Base-Backbone interact. energy: 1.599
local terms energy: -65.543072
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -367.376792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.376792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.376792 (E_RNA)
where:
Base-Base interactions energy: -259.073
where: short stacking energy: -103.612
Base-Backbone interact. energy: -1.833
local terms energy: -106.471496
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -25.467
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: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -304.409391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.409391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.409391 (E_RNA)
where:
Base-Base interactions energy: -185.617
where: short stacking energy: -99.474
Base-Backbone interact. energy: -0.010
local terms energy: -118.782158
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -26.313
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: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -359.534090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.534090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.534090 (E_RNA)
where:
Base-Base interactions energy: -241.058
where: short stacking energy: -105.947
Base-Backbone interact. energy: -0.013
local terms energy: -118.462946
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -24.646
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -32.961
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: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -299.268685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.268685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.268685 (E_RNA)
where:
Base-Base interactions energy: -193.666
where: short stacking energy: -90.533
Base-Backbone interact. energy: -0.128
local terms energy: -105.474756
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -23.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -277.326212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.326212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.326212 (E_RNA)
where:
Base-Base interactions energy: -175.805
where: short stacking energy: -84.472
Base-Backbone interact. energy: -0.136
local terms energy: -101.385345
where:
bonds (distance) C4'-P energy: -25.899
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -268.231555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.231555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.231555 (E_RNA)
where:
Base-Base interactions energy: -173.074
where: short stacking energy: -82.881
Base-Backbone interact. energy: -0.281
local terms energy: -94.876563
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -221.478179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.478179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.478179 (E_RNA)
where:
Base-Base interactions energy: -141.800
where: short stacking energy: -70.636
Base-Backbone interact. energy: -0.444
local terms energy: -79.233865
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -234.755310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.755310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.755310 (E_RNA)
where:
Base-Base interactions energy: -150.972
where: short stacking energy: -69.324
Base-Backbone interact. energy: 0.657
local terms energy: -84.439628
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -225.171565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.171565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.171565 (E_RNA)
where:
Base-Base interactions energy: -151.618
where: short stacking energy: -66.931
Base-Backbone interact. energy: -0.059
local terms energy: -73.494036
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -189.733856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.733856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.733856 (E_RNA)
where:
Base-Base interactions energy: -109.527
where: short stacking energy: -46.208
Base-Backbone interact. energy: 1.520
local terms energy: -81.726892
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -360.154603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.154603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.154603 (E_RNA)
where:
Base-Base interactions energy: -246.451
where: short stacking energy: -105.072
Base-Backbone interact. energy: -0.214
local terms energy: -113.490057
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -28.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -363.299089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.299089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.299089 (E_RNA)
where:
Base-Base interactions energy: -244.586
where: short stacking energy: -103.916
Base-Backbone interact. energy: -0.096
local terms energy: -118.617024
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -25.735
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -34.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -308.923285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.923285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.923285 (E_RNA)
where:
Base-Base interactions energy: -191.126
where: short stacking energy: -99.833
Base-Backbone interact. energy: -0.389
local terms energy: -117.408536
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -23.840
flat angles C4'-P-C4' energy: -26.568
flat angles P-C4'-P energy: -18.169
tors. eta vs tors. theta energy: -27.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -290.345730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.345730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.345730 (E_RNA)
where:
Base-Base interactions energy: -182.351
where: short stacking energy: -87.106
Base-Backbone interact. energy: -0.110
local terms energy: -107.885143
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -22.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -271.786748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.786748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.786748 (E_RNA)
where:
Base-Base interactions energy: -171.571
where: short stacking energy: -81.109
Base-Backbone interact. energy: 1.019
local terms energy: -101.234468
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -263.340987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.340987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.340987 (E_RNA)
where:
Base-Base interactions energy: -170.580
where: short stacking energy: -81.653
Base-Backbone interact. energy: -0.345
local terms energy: -92.415372
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -227.691493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.691493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.691493 (E_RNA)
where:
Base-Base interactions energy: -151.905
where: short stacking energy: -72.644
Base-Backbone interact. energy: 0.742
local terms energy: -76.528228
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -242.434428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.434428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.434428 (E_RNA)
where:
Base-Base interactions energy: -163.134
where: short stacking energy: -82.775
Base-Backbone interact. energy: 0.822
local terms energy: -80.122063
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -225.731339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.731339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.731339 (E_RNA)
where:
Base-Base interactions energy: -144.484
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.366
local terms energy: -80.881007
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -10.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -167.972943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.972943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.972943 (E_RNA)
where:
Base-Base interactions energy: -90.433
where: short stacking energy: -44.940
Base-Backbone interact. energy: -0.363
local terms energy: -77.176759
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -3.520
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: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -374.242007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.242007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.242007 (E_RNA)
where:
Base-Base interactions energy: -246.108
where: short stacking energy: -109.019
Base-Backbone interact. energy: -0.013
local terms energy: -128.120354
where:
bonds (distance) C4'-P energy: -24.343
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -26.444
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -34.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -343.101152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.101152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.101152 (E_RNA)
where:
Base-Base interactions energy: -237.284
where: short stacking energy: -100.935
Base-Backbone interact. energy: 0.531
local terms energy: -106.347971
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -27.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -280.379580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.379580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.379580 (E_RNA)
where:
Base-Base interactions energy: -174.786
where: short stacking energy: -80.610
Base-Backbone interact. energy: -0.155
local terms energy: -105.439083
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -20.918
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: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -277.196253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.196253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.196253 (E_RNA)
where:
Base-Base interactions energy: -177.865
where: short stacking energy: -84.418
Base-Backbone interact. energy: -0.296
local terms energy: -99.035198
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -275.054437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.054437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.054437 (E_RNA)
where:
Base-Base interactions energy: -175.180
where: short stacking energy: -75.101
Base-Backbone interact. energy: -0.339
local terms energy: -99.534854
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -262.310387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.310387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.310387 (E_RNA)
where:
Base-Base interactions energy: -174.094
where: short stacking energy: -74.183
Base-Backbone interact. energy: -0.543
local terms energy: -87.672831
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -216.610479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.610479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.610479 (E_RNA)
where:
Base-Base interactions energy: -121.923
where: short stacking energy: -59.234
Base-Backbone interact. energy: -0.090
local terms energy: -94.597641
where:
bonds (distance) C4'-P energy: -25.389
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -21.981
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -222.477013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.477013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.477013 (E_RNA)
where:
Base-Base interactions energy: -152.523
where: short stacking energy: -56.797
Base-Backbone interact. energy: -0.225
local terms energy: -69.729358
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -12.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -240.005013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.005013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.005013 (E_RNA)
where:
Base-Base interactions energy: -153.242
where: short stacking energy: -61.889
Base-Backbone interact. energy: -0.751
local terms energy: -86.012086
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -228.532715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.532715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.532715 (E_RNA)
where:
Base-Base interactions energy: -153.214
where: short stacking energy: -68.924
Base-Backbone interact. energy: -1.436
local terms energy: -73.882579
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -16.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -367.619396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.619396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.619396 (E_RNA)
where:
Base-Base interactions energy: -247.558
where: short stacking energy: -104.911
Base-Backbone interact. energy: -0.158
local terms energy: -119.902967
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -31.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -330.201101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.201101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.201101 (E_RNA)
where:
Base-Base interactions energy: -220.674
where: short stacking energy: -102.085
Base-Backbone interact. energy: -1.125
local terms energy: -108.402397
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -19.741
tors. eta vs tors. theta energy: -28.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -314.169099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.169099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.169099 (E_RNA)
where:
Base-Base interactions energy: -204.650
where: short stacking energy: -113.685
Base-Backbone interact. energy: -0.031
local terms energy: -109.488406
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -29.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -285.314234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.314234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.314234 (E_RNA)
where:
Base-Base interactions energy: -183.582
where: short stacking energy: -93.941
Base-Backbone interact. energy: -0.021
local terms energy: -101.711739
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -24.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -273.836041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.836041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.836041 (E_RNA)
where:
Base-Base interactions energy: -177.092
where: short stacking energy: -79.016
Base-Backbone interact. energy: -0.622
local terms energy: -96.122346
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -20.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -208.055762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.055762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.055762 (E_RNA)
where:
Base-Base interactions energy: -131.274
where: short stacking energy: -62.684
Base-Backbone interact. energy: -0.257
local terms energy: -76.524536
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -245.204372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.204372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.204372 (E_RNA)
where:
Base-Base interactions energy: -159.482
where: short stacking energy: -76.755
Base-Backbone interact. energy: -0.874
local terms energy: -84.848041
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -23.214
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -207.295112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.295112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.295112 (E_RNA)
where:
Base-Base interactions energy: -128.051
where: short stacking energy: -65.549
Base-Backbone interact. energy: -0.271
local terms energy: -78.972737
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -9.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -230.112324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.112324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.112324 (E_RNA)
where:
Base-Base interactions energy: -147.912
where: short stacking energy: -66.213
Base-Backbone interact. energy: 0.597
local terms energy: -82.797473
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -220.468885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.468885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.468885 (E_RNA)
where:
Base-Base interactions energy: -138.891
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.267
local terms energy: -81.311297
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -359.074905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.074905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.074905 (E_RNA)
where:
Base-Base interactions energy: -240.772
where: short stacking energy: -105.394
Base-Backbone interact. energy: -0.046
local terms energy: -118.256788
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -29.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -315.892045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.892045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.892045 (E_RNA)
where:
Base-Base interactions energy: -204.490
where: short stacking energy: -93.763
Base-Backbone interact. energy: 0.792
local terms energy: -112.194085
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -300.304806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.304806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.304806 (E_RNA)
where:
Base-Base interactions energy: -198.991
where: short stacking energy: -81.192
Base-Backbone interact. energy: -1.392
local terms energy: -99.921853
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -293.314823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.314823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.314823 (E_RNA)
where:
Base-Base interactions energy: -192.295
where: short stacking energy: -85.476
Base-Backbone interact. energy: -0.164
local terms energy: -100.855672
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -280.411781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.411781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.411781 (E_RNA)
where:
Base-Base interactions energy: -175.005
where: short stacking energy: -83.725
Base-Backbone interact. energy: -0.196
local terms energy: -105.210986
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -23.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -226.504509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.504509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.504509 (E_RNA)
where:
Base-Base interactions energy: -136.299
where: short stacking energy: -69.691
Base-Backbone interact. energy: -0.295
local terms energy: -89.910112
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -277.628829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.628829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.628829 (E_RNA)
where:
Base-Base interactions energy: -185.158
where: short stacking energy: -89.196
Base-Backbone interact. energy: 0.927
local terms energy: -93.397640
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -22.289
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -27.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -210.477986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.477986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.477986 (E_RNA)
where:
Base-Base interactions energy: -125.506
where: short stacking energy: -65.793
Base-Backbone interact. energy: -0.163
local terms energy: -84.808268
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -226.413716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.413716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.413716 (E_RNA)
where:
Base-Base interactions energy: -155.558
where: short stacking energy: -64.912
Base-Backbone interact. energy: -0.397
local terms energy: -70.458622
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -229.045122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.045122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.045122 (E_RNA)
where:
Base-Base interactions energy: -145.426
where: short stacking energy: -68.583
Base-Backbone interact. energy: -0.200
local terms energy: -83.418231
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -12.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -348.195776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.195776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.195776 (E_RNA)
where:
Base-Base interactions energy: -236.688
where: short stacking energy: -101.634
Base-Backbone interact. energy: -0.190
local terms energy: -111.317794
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -27.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -341.011686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.011686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.011686 (E_RNA)
where:
Base-Base interactions energy: -231.153
where: short stacking energy: -101.598
Base-Backbone interact. energy: -1.182
local terms energy: -108.677149
where:
bonds (distance) C4'-P energy: -21.898
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -24.839
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -324.391233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.391233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.391233 (E_RNA)
where:
Base-Base interactions energy: -224.795
where: short stacking energy: -98.008
Base-Backbone interact. energy: 1.441
local terms energy: -101.037810
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -24.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -304.095050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.095050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.095050 (E_RNA)
where:
Base-Base interactions energy: -203.035
where: short stacking energy: -83.155
Base-Backbone interact. energy: -0.226
local terms energy: -100.833905
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -17.645
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: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -265.743644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.743644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.743644 (E_RNA)
where:
Base-Base interactions energy: -177.550
where: short stacking energy: -74.479
Base-Backbone interact. energy: 1.636
local terms energy: -89.829396
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -267.695622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.695622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.695622 (E_RNA)
where:
Base-Base interactions energy: -180.770
where: short stacking energy: -73.035
Base-Backbone interact. energy: 0.838
local terms energy: -87.763838
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -208.432353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.432353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.432353 (E_RNA)
where:
Base-Base interactions energy: -143.497
where: short stacking energy: -69.673
Base-Backbone interact. energy: -0.491
local terms energy: -64.444343
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -243.025741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.025741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.025741 (E_RNA)
where:
Base-Base interactions energy: -153.030
where: short stacking energy: -70.174
Base-Backbone interact. energy: -0.155
local terms energy: -89.840464
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -23.736
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -240.172435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.172435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.172435 (E_RNA)
where:
Base-Base interactions energy: -165.803
where: short stacking energy: -78.175
Base-Backbone interact. energy: -0.393
local terms energy: -73.975875
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -15.945
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: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -226.593323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.593323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.593323 (E_RNA)
where:
Base-Base interactions energy: -144.974
where: short stacking energy: -65.443
Base-Backbone interact. energy: -0.699
local terms energy: -80.919801
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -363.021756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.021756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.021756 (E_RNA)
where:
Base-Base interactions energy: -252.467
where: short stacking energy: -108.554
Base-Backbone interact. energy: -0.226
local terms energy: -110.328373
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -27.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -325.199863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.199863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.199863 (E_RNA)
where:
Base-Base interactions energy: -228.618
where: short stacking energy: -82.509
Base-Backbone interact. energy: -0.274
local terms energy: -96.308089
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -316.088127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.088127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.088127 (E_RNA)
where:
Base-Base interactions energy: -215.198
where: short stacking energy: -85.841
Base-Backbone interact. energy: -0.467
local terms energy: -100.422757
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -317.109554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.109554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.109554 (E_RNA)
where:
Base-Base interactions energy: -212.355
where: short stacking energy: -81.182
Base-Backbone interact. energy: -1.242
local terms energy: -103.513368
where:
bonds (distance) C4'-P energy: -21.717
bonds (distance) P-C4' energy: -25.754
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -283.036763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.036763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.036763 (E_RNA)
where:
Base-Base interactions energy: -178.805
where: short stacking energy: -89.693
Base-Backbone interact. energy: -0.036
local terms energy: -104.196232
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -26.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -256.773028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.773028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.773028 (E_RNA)
where:
Base-Base interactions energy: -152.698
where: short stacking energy: -68.461
Base-Backbone interact. energy: -0.558
local terms energy: -103.516709
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -23.202
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -22.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -253.590428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.590428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.590428 (E_RNA)
where:
Base-Base interactions energy: -165.916
where: short stacking energy: -74.374
Base-Backbone interact. energy: -1.717
local terms energy: -85.956874
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -20.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -198.010390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.010390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.010390 (E_RNA)
where:
Base-Base interactions energy: -122.030
where: short stacking energy: -47.647
Base-Backbone interact. energy: -0.459
local terms energy: -75.521423
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -14.954
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: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -190.935186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.935186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.935186 (E_RNA)
where:
Base-Base interactions energy: -112.833
where: short stacking energy: -56.022
Base-Backbone interact. energy: -0.275
local terms energy: -77.826840
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -230.308993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.308993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.308993 (E_RNA)
where:
Base-Base interactions energy: -158.030
where: short stacking energy: -67.127
Base-Backbone interact. energy: -0.187
local terms energy: -72.092633
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -361.736623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.736623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.736623 (E_RNA)
where:
Base-Base interactions energy: -249.647
where: short stacking energy: -101.765
Base-Backbone interact. energy: -0.461
local terms energy: -111.628047
where:
bonds (distance) C4'-P energy: -23.797
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -29.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -323.186254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.186254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.186254 (E_RNA)
where:
Base-Base interactions energy: -224.952
where: short stacking energy: -74.012
Base-Backbone interact. energy: -1.260
local terms energy: -96.974050
where:
bonds (distance) C4'-P energy: -20.803
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -23.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -313.339424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.339424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.339424 (E_RNA)
where:
Base-Base interactions energy: -203.591
where: short stacking energy: -79.103
Base-Backbone interact. energy: 0.192
local terms energy: -109.940358
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -25.032
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -19.793
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: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -279.127886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.127886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.127886 (E_RNA)
where:
Base-Base interactions energy: -177.743
where: short stacking energy: -86.833
Base-Backbone interact. energy: -0.046
local terms energy: -101.338491
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -279.768685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.768685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.768685 (E_RNA)
where:
Base-Base interactions energy: -190.496
where: short stacking energy: -74.899
Base-Backbone interact. energy: -0.582
local terms energy: -88.690288
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -21.280
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -265.865898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.865898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.865898 (E_RNA)
where:
Base-Base interactions energy: -169.199
where: short stacking energy: -75.193
Base-Backbone interact. energy: -0.183
local terms energy: -96.483808
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -17.615
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: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -269.763884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.763884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.763884 (E_RNA)
where:
Base-Base interactions energy: -177.286
where: short stacking energy: -83.321
Base-Backbone interact. energy: -0.090
local terms energy: -92.387875
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -188.662165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.662165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.662165 (E_RNA)
where:
Base-Base interactions energy: -115.358
where: short stacking energy: -44.889
Base-Backbone interact. energy: 1.572
local terms energy: -74.876361
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -12.909
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: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -195.167263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.167263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.167263 (E_RNA)
where:
Base-Base interactions energy: -103.828
where: short stacking energy: -41.480
Base-Backbone interact. energy: -2.097
local terms energy: -89.242385
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -9.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -221.857514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.857514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.857514 (E_RNA)
where:
Base-Base interactions energy: -146.893
where: short stacking energy: -66.016
Base-Backbone interact. energy: -0.305
local terms energy: -74.659842
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -21.953
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -10.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -340.291521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.291521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.291521 (E_RNA)
where:
Base-Base interactions energy: -240.076
where: short stacking energy: -86.007
Base-Backbone interact. energy: -1.104
local terms energy: -99.111513
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -23.606
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: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -353.594430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.594430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.594430 (E_RNA)
where:
Base-Base interactions energy: -242.847
where: short stacking energy: -100.118
Base-Backbone interact. energy: -0.162
local terms energy: -110.586047
where:
bonds (distance) C4'-P energy: -23.829
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -30.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -313.735171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.735171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.735171 (E_RNA)
where:
Base-Base interactions energy: -202.466
where: short stacking energy: -82.934
Base-Backbone interact. energy: -0.630
local terms energy: -110.639502
where:
bonds (distance) C4'-P energy: -25.162
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -25.953
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -21.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -279.129168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.129168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.129168 (E_RNA)
where:
Base-Base interactions energy: -174.456
where: short stacking energy: -81.064
Base-Backbone interact. energy: -1.400
local terms energy: -103.273365
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -27.114
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -253.196044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.196044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.196044 (E_RNA)
where:
Base-Base interactions energy: -166.488
where: short stacking energy: -81.095
Base-Backbone interact. energy: -0.109
local terms energy: -86.599231
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -22.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -260.402303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.402303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.402303 (E_RNA)
where:
Base-Base interactions energy: -169.403
where: short stacking energy: -75.705
Base-Backbone interact. energy: -0.296
local terms energy: -90.703540
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -260.674899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.674899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.674899 (E_RNA)
where:
Base-Base interactions energy: -162.082
where: short stacking energy: -71.351
Base-Backbone interact. energy: -0.280
local terms energy: -98.313451
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -23.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -213.194968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.194968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.194968 (E_RNA)
where:
Base-Base interactions energy: -124.137
where: short stacking energy: -58.506
Base-Backbone interact. energy: -0.091
local terms energy: -88.966734
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -232.112976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.112976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.112976 (E_RNA)
where:
Base-Base interactions energy: -148.878
where: short stacking energy: -58.820
Base-Backbone interact. energy: 1.159
local terms energy: -84.393540
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -8.845
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: 446
Temperature: 1.350000
Total energy: -208.605243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.605243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.605243 (E_RNA)
where:
Base-Base interactions energy: -128.346
where: short stacking energy: -55.910
Base-Backbone interact. energy: -0.339
local terms energy: -79.920390
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -10.696
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: 1, replica: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -347.665384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.665384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.665384 (E_RNA)
where:
Base-Base interactions energy: -234.292
where: short stacking energy: -91.518
Base-Backbone interact. energy: -0.175
local terms energy: -113.198157
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -27.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -355.142785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.142785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.142785 (E_RNA)
where:
Base-Base interactions energy: -234.339
where: short stacking energy: -109.962
Base-Backbone interact. energy: -0.224
local terms energy: -120.579251
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -26.977
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -33.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -319.053544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.053544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.053544 (E_RNA)
where:
Base-Base interactions energy: -207.123
where: short stacking energy: -94.405
Base-Backbone interact. energy: -0.082
local terms energy: -111.848675
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -24.898
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: -29.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -275.898413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.898413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.898413 (E_RNA)
where:
Base-Base interactions energy: -188.933
where: short stacking energy: -89.632
Base-Backbone interact. energy: -0.194
local terms energy: -86.771413
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -21.971
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -23.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -269.845913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.845913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.845913 (E_RNA)
where:
Base-Base interactions energy: -165.256
where: short stacking energy: -79.254
Base-Backbone interact. energy: -1.435
local terms energy: -103.155273
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -20.504
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: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -256.827375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.827375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.827375 (E_RNA)
where:
Base-Base interactions energy: -163.156
where: short stacking energy: -75.530
Base-Backbone interact. energy: -0.378
local terms energy: -93.293398
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -275.073475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.073475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.073475 (E_RNA)
where:
Base-Base interactions energy: -173.662
where: short stacking energy: -72.796
Base-Backbone interact. energy: -0.582
local terms energy: -100.829196
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -27.008
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -236.134191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.134191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.134191 (E_RNA)
where:
Base-Base interactions energy: -150.473
where: short stacking energy: -72.228
Base-Backbone interact. energy: -0.242
local terms energy: -85.419306
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -190.460816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.460816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.460816 (E_RNA)
where:
Base-Base interactions energy: -109.894
where: short stacking energy: -47.500
Base-Backbone interact. energy: -0.331
local terms energy: -80.235849
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -230.409568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.409568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.409568 (E_RNA)
where:
Base-Base interactions energy: -144.866
where: short stacking energy: -65.370
Base-Backbone interact. energy: -0.203
local terms energy: -85.340556
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -24.159
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -373.326204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.326204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.326204 (E_RNA)
where:
Base-Base interactions energy: -255.870
where: short stacking energy: -112.956
Base-Backbone interact. energy: -0.246
local terms energy: -117.209952
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -20.149
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -31.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -349.486075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.486075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.486075 (E_RNA)
where:
Base-Base interactions energy: -239.284
where: short stacking energy: -83.804
Base-Backbone interact. energy: -0.369
local terms energy: -109.832653
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -17.944
tors. eta vs tors. theta energy: -25.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -325.891565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.891565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.891565 (E_RNA)
where:
Base-Base interactions energy: -212.634
where: short stacking energy: -102.875
Base-Backbone interact. energy: -0.989
local terms energy: -112.268243
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -33.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -317.244375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.244375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.244375 (E_RNA)
where:
Base-Base interactions energy: -208.395
where: short stacking energy: -91.398
Base-Backbone interact. energy: -0.565
local terms energy: -108.284740
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -25.909
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: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -283.051424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.051424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.051424 (E_RNA)
where:
Base-Base interactions energy: -178.786
where: short stacking energy: -96.337
Base-Backbone interact. energy: -0.827
local terms energy: -103.437842
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -21.280
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -28.882
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: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -262.178423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.178423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.178423 (E_RNA)
where:
Base-Base interactions energy: -169.429
where: short stacking energy: -63.988
Base-Backbone interact. energy: -0.787
local terms energy: -91.961946
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -14.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -281.633140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.633140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.633140 (E_RNA)
where:
Base-Base interactions energy: -188.272
where: short stacking energy: -86.277
Base-Backbone interact. energy: -0.570
local terms energy: -92.790484
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -239.912063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.912063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.912063 (E_RNA)
where:
Base-Base interactions energy: -158.176
where: short stacking energy: -73.250
Base-Backbone interact. energy: -0.516
local terms energy: -81.219721
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -239.604046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.604046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.604046 (E_RNA)
where:
Base-Base interactions energy: -146.664
where: short stacking energy: -71.580
Base-Backbone interact. energy: -0.638
local terms energy: -92.301407
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -25.738
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -181.879505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.879505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.879505 (E_RNA)
where:
Base-Base interactions energy: -105.683
where: short stacking energy: -50.890
Base-Backbone interact. energy: -0.410
local terms energy: -75.785831
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -27.200
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -373.587896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.587896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.587896 (E_RNA)
where:
Base-Base interactions energy: -255.487
where: short stacking energy: -107.978
Base-Backbone interact. energy: 0.006
local terms energy: -118.106528
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -27.369
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -32.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -342.641192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.641192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.641192 (E_RNA)
where:
Base-Base interactions energy: -235.311
where: short stacking energy: -92.902
Base-Backbone interact. energy: -0.970
local terms energy: -106.360406
where:
bonds (distance) C4'-P energy: -24.637
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -23.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -331.468186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.468186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.468186 (E_RNA)
where:
Base-Base interactions energy: -226.989
where: short stacking energy: -97.406
Base-Backbone interact. energy: -0.698
local terms energy: -103.781312
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -20.293
tors. eta vs tors. theta energy: -25.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -291.189827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.189827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.189827 (E_RNA)
where:
Base-Base interactions energy: -196.712
where: short stacking energy: -88.643
Base-Backbone interact. energy: -0.251
local terms energy: -94.226719
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -17.872
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: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -268.418555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.418555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.418555 (E_RNA)
where:
Base-Base interactions energy: -184.188
where: short stacking energy: -86.868
Base-Backbone interact. energy: -0.270
local terms energy: -83.960308
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -267.568412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.568412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.568412 (E_RNA)
where:
Base-Base interactions energy: -167.520
where: short stacking energy: -84.576
Base-Backbone interact. energy: -0.496
local terms energy: -99.552385
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -25.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -257.606761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.606761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.606761 (E_RNA)
where:
Base-Base interactions energy: -161.883
where: short stacking energy: -82.161
Base-Backbone interact. energy: -0.117
local terms energy: -95.606077
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -24.569
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -247.226097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.226097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.226097 (E_RNA)
where:
Base-Base interactions energy: -159.191
where: short stacking energy: -76.356
Base-Backbone interact. energy: -0.585
local terms energy: -87.450180
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -17.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -250.677178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.677178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.677178 (E_RNA)
where:
Base-Base interactions energy: -163.269
where: short stacking energy: -71.999
Base-Backbone interact. energy: 1.274
local terms energy: -88.682158
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -168.984339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.984339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.984339 (E_RNA)
where:
Base-Base interactions energy: -87.682
where: short stacking energy: -37.511
Base-Backbone interact. energy: 0.035
local terms energy: -81.336511
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -370.550794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.550794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.550794 (E_RNA)
where:
Base-Base interactions energy: -253.097
where: short stacking energy: -107.482
Base-Backbone interact. energy: -0.059
local terms energy: -117.394329
where:
bonds (distance) C4'-P energy: -23.255
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -31.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -324.405554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.405554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.405554 (E_RNA)
where:
Base-Base interactions energy: -223.307
where: short stacking energy: -87.176
Base-Backbone interact. energy: -1.149
local terms energy: -99.949565
where:
bonds (distance) C4'-P energy: -24.979
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -328.620747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.620747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.620747 (E_RNA)
where:
Base-Base interactions energy: -223.623
where: short stacking energy: -102.509
Base-Backbone interact. energy: 1.995
local terms energy: -106.992533
where:
bonds (distance) C4'-P energy: -24.271
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -28.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -294.445867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.445867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.445867 (E_RNA)
where:
Base-Base interactions energy: -194.889
where: short stacking energy: -84.712
Base-Backbone interact. energy: 1.364
local terms energy: -100.920933
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -19.493
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -282.253907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.253907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.253907 (E_RNA)
where:
Base-Base interactions energy: -185.011
where: short stacking energy: -80.700
Base-Backbone interact. energy: -0.437
local terms energy: -96.805856
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -261.537620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.537620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.537620 (E_RNA)
where:
Base-Base interactions energy: -164.884
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.196
local terms energy: -96.457613
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -261.926275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.926275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.926275 (E_RNA)
where:
Base-Base interactions energy: -165.412
where: short stacking energy: -75.276
Base-Backbone interact. energy: -0.557
local terms energy: -95.957333
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -247.347521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.347521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.347521 (E_RNA)
where:
Base-Base interactions energy: -173.678
where: short stacking energy: -65.283
Base-Backbone interact. energy: -1.202
local terms energy: -72.466803
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -7.509
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -226.174276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.174276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.174276 (E_RNA)
where:
Base-Base interactions energy: -148.196
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.172
local terms energy: -77.806284
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -12.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -194.465575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.465575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.465575 (E_RNA)
where:
Base-Base interactions energy: -120.089
where: short stacking energy: -62.868
Base-Backbone interact. energy: -0.386
local terms energy: -73.990971
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -366.823801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.823801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.823801 (E_RNA)
where:
Base-Base interactions energy: -254.553
where: short stacking energy: -113.246
Base-Backbone interact. energy: -0.185
local terms energy: -112.086637
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -18.854
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -27.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -328.216925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.216925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.216925 (E_RNA)
where:
Base-Base interactions energy: -217.728
where: short stacking energy: -100.985
Base-Backbone interact. energy: -1.406
local terms energy: -109.082215
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -26.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -322.145869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.145869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.145869 (E_RNA)
where:
Base-Base interactions energy: -218.718
where: short stacking energy: -87.880
Base-Backbone interact. energy: -1.238
local terms energy: -102.190080
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -21.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -309.563387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.563387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.563387 (E_RNA)
where:
Base-Base interactions energy: -203.524
where: short stacking energy: -85.242
Base-Backbone interact. energy: -0.865
local terms energy: -105.173882
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -26.347
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -22.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -275.572136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.572136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.572136 (E_RNA)
where:
Base-Base interactions energy: -179.149
where: short stacking energy: -77.932
Base-Backbone interact. energy: -0.413
local terms energy: -96.010226
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -25.038
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -264.242734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.242734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.242734 (E_RNA)
where:
Base-Base interactions energy: -167.885
where: short stacking energy: -83.020
Base-Backbone interact. energy: -0.463
local terms energy: -95.894951
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -25.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -235.830141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.830141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.830141 (E_RNA)
where:
Base-Base interactions energy: -144.598
where: short stacking energy: -62.058
Base-Backbone interact. energy: -1.214
local terms energy: -90.018800
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -249.737441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.737441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.737441 (E_RNA)
where:
Base-Base interactions energy: -155.275
where: short stacking energy: -77.591
Base-Backbone interact. energy: 0.154
local terms energy: -94.616150
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -22.065
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -18.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -239.529186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.529186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.529186 (E_RNA)
where:
Base-Base interactions energy: -157.125
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.713
local terms energy: -81.691752
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -195.980182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.980182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.980182 (E_RNA)
where:
Base-Base interactions energy: -128.270
where: short stacking energy: -56.318
Base-Backbone interact. energy: 0.667
local terms energy: -68.376867
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -8.053
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: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -366.733406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.733406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.733406 (E_RNA)
where:
Base-Base interactions energy: -245.732
where: short stacking energy: -109.538
Base-Backbone interact. energy: -0.130
local terms energy: -120.871371
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -34.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -316.522154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.522154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.522154 (E_RNA)
where:
Base-Base interactions energy: -213.689
where: short stacking energy: -99.539
Base-Backbone interact. energy: -0.223
local terms energy: -102.610384
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -25.450
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: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -321.685048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.685048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.685048 (E_RNA)
where:
Base-Base interactions energy: -227.854
where: short stacking energy: -98.026
Base-Backbone interact. energy: -1.919
local terms energy: -91.911314
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -22.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -294.000625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.000625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.000625 (E_RNA)
where:
Base-Base interactions energy: -207.222
where: short stacking energy: -81.888
Base-Backbone interact. energy: -0.148
local terms energy: -86.630630
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -272.488784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.488784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.488784 (E_RNA)
where:
Base-Base interactions energy: -179.244
where: short stacking energy: -73.135
Base-Backbone interact. energy: -0.326
local terms energy: -92.918728
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -273.311160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.311160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.311160 (E_RNA)
where:
Base-Base interactions energy: -177.404
where: short stacking energy: -76.679
Base-Backbone interact. energy: -0.508
local terms energy: -95.399309
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -28.309
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -263.483516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.483516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.483516 (E_RNA)
where:
Base-Base interactions energy: -171.815
where: short stacking energy: -84.947
Base-Backbone interact. energy: -0.157
local terms energy: -91.512012
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -197.774696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.774696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.774696 (E_RNA)
where:
Base-Base interactions energy: -115.094
where: short stacking energy: -59.419
Base-Backbone interact. energy: 0.019
local terms energy: -82.700323
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -206.688077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.688077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.688077 (E_RNA)
where:
Base-Base interactions energy: -120.678
where: short stacking energy: -61.888
Base-Backbone interact. energy: -1.294
local terms energy: -84.716183
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -12.656
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: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -202.205952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.205952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.205952 (E_RNA)
where:
Base-Base interactions energy: -122.805
where: short stacking energy: -57.753
Base-Backbone interact. energy: -0.503
local terms energy: -78.898093
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -362.847479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.847479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.847479 (E_RNA)
where:
Base-Base interactions energy: -239.864
where: short stacking energy: -101.176
Base-Backbone interact. energy: -0.008
local terms energy: -122.975897
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -27.663
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -33.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -329.784598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.784598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.784598 (E_RNA)
where:
Base-Base interactions energy: -210.088
where: short stacking energy: -88.933
Base-Backbone interact. energy: -0.003
local terms energy: -119.693076
where:
bonds (distance) C4'-P energy: -23.895
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -28.407
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -24.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -325.705572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.705572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.705572 (E_RNA)
where:
Base-Base interactions energy: -216.352
where: short stacking energy: -92.063
Base-Backbone interact. energy: -0.086
local terms energy: -109.267748
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -23.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -284.872718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.872718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.872718 (E_RNA)
where:
Base-Base interactions energy: -180.536
where: short stacking energy: -93.994
Base-Backbone interact. energy: 0.546
local terms energy: -104.882825
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -281.412553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.412553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.412553 (E_RNA)
where:
Base-Base interactions energy: -185.702
where: short stacking energy: -78.967
Base-Backbone interact. energy: -0.267
local terms energy: -95.443646
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -258.023732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.023732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.023732 (E_RNA)
where:
Base-Base interactions energy: -167.331
where: short stacking energy: -65.389
Base-Backbone interact. energy: -0.001
local terms energy: -90.691898
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -23.287
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -250.349817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.349817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.349817 (E_RNA)
where:
Base-Base interactions energy: -163.057
where: short stacking energy: -70.426
Base-Backbone interact. energy: -0.800
local terms energy: -86.492814
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -206.265318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.265318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.265318 (E_RNA)
where:
Base-Base interactions energy: -128.362
where: short stacking energy: -67.515
Base-Backbone interact. energy: 3.777
local terms energy: -81.680310
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -12.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -248.109543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.109543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.109543 (E_RNA)
where:
Base-Base interactions energy: -158.625
where: short stacking energy: -71.748
Base-Backbone interact. energy: -0.172
local terms energy: -89.312810
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -208.862444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.862444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.862444 (E_RNA)
where:
Base-Base interactions energy: -133.122
where: short stacking energy: -54.528
Base-Backbone interact. energy: -1.489
local terms energy: -74.250925
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -366.863441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.863441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.863441 (E_RNA)
where:
Base-Base interactions energy: -244.266
where: short stacking energy: -100.584
Base-Backbone interact. energy: -0.102
local terms energy: -122.495427
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -25.221
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -34.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -337.027449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.027449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.027449 (E_RNA)
where:
Base-Base interactions energy: -226.960
where: short stacking energy: -99.888
Base-Backbone interact. energy: -0.501
local terms energy: -109.566281
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -28.737
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: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -283.550422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.550422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.550422 (E_RNA)
where:
Base-Base interactions energy: -186.732
where: short stacking energy: -91.768
Base-Backbone interact. energy: -0.934
local terms energy: -95.884444
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -24.043
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -304.736516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.736516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.736516 (E_RNA)
where:
Base-Base interactions energy: -199.475
where: short stacking energy: -79.896
Base-Backbone interact. energy: -0.142
local terms energy: -105.119871
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -297.111686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.111686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.111686 (E_RNA)
where:
Base-Base interactions energy: -208.494
where: short stacking energy: -69.735
Base-Backbone interact. energy: -0.967
local terms energy: -87.651099
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -25.768
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -252.827690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.827690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.827690 (E_RNA)
where:
Base-Base interactions energy: -160.316
where: short stacking energy: -73.450
Base-Backbone interact. energy: 0.989
local terms energy: -93.500481
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -24.125
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -254.045526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.045526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.045526 (E_RNA)
where:
Base-Base interactions energy: -166.953
where: short stacking energy: -77.178
Base-Backbone interact. energy: -0.080
local terms energy: -87.012685
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -214.809585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.809585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.809585 (E_RNA)
where:
Base-Base interactions energy: -126.560
where: short stacking energy: -66.112
Base-Backbone interact. energy: -0.094
local terms energy: -88.154895
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -253.398436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.398436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.398436 (E_RNA)
where:
Base-Base interactions energy: -160.567
where: short stacking energy: -72.139
Base-Backbone interact. energy: -0.361
local terms energy: -92.470396
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -234.963720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.963720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.963720 (E_RNA)
where:
Base-Base interactions energy: -151.506
where: short stacking energy: -65.811
Base-Backbone interact. energy: -0.386
local terms energy: -83.072082
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -372.071780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.071780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.071780 (E_RNA)
where:
Base-Base interactions energy: -259.399
where: short stacking energy: -110.219
Base-Backbone interact. energy: -0.115
local terms energy: -112.557648
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -33.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -339.895911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.895911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.895911 (E_RNA)
where:
Base-Base interactions energy: -233.603
where: short stacking energy: -93.723
Base-Backbone interact. energy: -0.148
local terms energy: -106.144207
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -21.832
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -292.602475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.602475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.602475 (E_RNA)
where:
Base-Base interactions energy: -176.760
where: short stacking energy: -93.268
Base-Backbone interact. energy: -0.665
local terms energy: -115.177830
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -27.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -304.283955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.283955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.283955 (E_RNA)
where:
Base-Base interactions energy: -201.312
where: short stacking energy: -92.529
Base-Backbone interact. energy: -0.663
local terms energy: -102.309614
where:
bonds (distance) C4'-P energy: -22.695
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -25.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -283.255510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.255510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.255510 (E_RNA)
where:
Base-Base interactions energy: -190.760
where: short stacking energy: -78.538
Base-Backbone interact. energy: -0.491
local terms energy: -92.004610
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -262.563423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.563423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.563423 (E_RNA)
where:
Base-Base interactions energy: -172.704
where: short stacking energy: -78.357
Base-Backbone interact. energy: 0.369
local terms energy: -90.227660
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -252.776138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.776138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.776138 (E_RNA)
where:
Base-Base interactions energy: -165.236
where: short stacking energy: -77.613
Base-Backbone interact. energy: -1.160
local terms energy: -86.380896
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -22.178
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -251.741722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.741722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.741722 (E_RNA)
where:
Base-Base interactions energy: -158.855
where: short stacking energy: -64.971
Base-Backbone interact. energy: -0.297
local terms energy: -92.590280
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -25.372
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -234.604599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.604599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.604599 (E_RNA)
where:
Base-Base interactions energy: -146.271
where: short stacking energy: -65.168
Base-Backbone interact. energy: -0.079
local terms energy: -88.254536
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -232.098925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.098925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.098925 (E_RNA)
where:
Base-Base interactions energy: -137.368
where: short stacking energy: -62.154
Base-Backbone interact. energy: -0.177
local terms energy: -94.554040
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -14.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -371.810341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.810341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.810341 (E_RNA)
where:
Base-Base interactions energy: -257.976
where: short stacking energy: -108.547
Base-Backbone interact. energy: -0.168
local terms energy: -113.665532
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -24.719
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -32.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -341.806732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.806732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.806732 (E_RNA)
where:
Base-Base interactions energy: -226.216
where: short stacking energy: -105.910
Base-Backbone interact. energy: -2.115
local terms energy: -113.476367
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -25.952
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -31.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -331.660631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.660631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.660631 (E_RNA)
where:
Base-Base interactions energy: -224.430
where: short stacking energy: -91.467
Base-Backbone interact. energy: -0.667
local terms energy: -106.562743
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -23.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -268.604546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.604546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.604546 (E_RNA)
where:
Base-Base interactions energy: -168.967
where: short stacking energy: -78.066
Base-Backbone interact. energy: -0.417
local terms energy: -99.220729
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -275.163262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.163262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.163262 (E_RNA)
where:
Base-Base interactions energy: -189.433
where: short stacking energy: -79.691
Base-Backbone interact. energy: -0.239
local terms energy: -85.491113
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -315.934198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.934198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.934198 (E_RNA)
where:
Base-Base interactions energy: -210.853
where: short stacking energy: -87.413
Base-Backbone interact. energy: -0.488
local terms energy: -104.592577
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -25.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -265.818753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.818753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.818753 (E_RNA)
where:
Base-Base interactions energy: -163.399
where: short stacking energy: -77.927
Base-Backbone interact. energy: -0.011
local terms energy: -102.408606
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -26.972
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -22.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -255.436163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.436163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.436163 (E_RNA)
where:
Base-Base interactions energy: -158.836
where: short stacking energy: -81.666
Base-Backbone interact. energy: -0.097
local terms energy: -96.503099
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -19.864
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: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -229.505488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.505488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.505488 (E_RNA)
where:
Base-Base interactions energy: -149.968
where: short stacking energy: -69.681
Base-Backbone interact. energy: -0.432
local terms energy: -79.105975
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -193.180072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.180072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.180072 (E_RNA)
where:
Base-Base interactions energy: -119.933
where: short stacking energy: -52.297
Base-Backbone interact. energy: -0.714
local terms energy: -72.532480
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -373.178820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.178820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.178820 (E_RNA)
where:
Base-Base interactions energy: -252.371
where: short stacking energy: -99.526
Base-Backbone interact. energy: -0.098
local terms energy: -120.709766
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -33.305
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: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -356.248396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.248396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.248396 (E_RNA)
where:
Base-Base interactions energy: -236.402
where: short stacking energy: -106.486
Base-Backbone interact. energy: -0.286
local terms energy: -119.559724
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -29.705
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: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -309.128874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.128874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.128874 (E_RNA)
where:
Base-Base interactions energy: -205.386
where: short stacking energy: -98.720
Base-Backbone interact. energy: -0.437
local terms energy: -103.305341
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -26.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -285.858519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.858519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.858519 (E_RNA)
where:
Base-Base interactions energy: -185.421
where: short stacking energy: -93.171
Base-Backbone interact. energy: 0.032
local terms energy: -100.469556
where:
bonds (distance) C4'-P energy: -23.234
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -23.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -287.390763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.390763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.390763 (E_RNA)
where:
Base-Base interactions energy: -185.870
where: short stacking energy: -89.271
Base-Backbone interact. energy: -0.842
local terms energy: -100.678635
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -249.828462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.828462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.828462 (E_RNA)
where:
Base-Base interactions energy: -169.098
where: short stacking energy: -73.019
Base-Backbone interact. energy: 1.000
local terms energy: -81.730799
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -238.349961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.349961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.349961 (E_RNA)
where:
Base-Base interactions energy: -156.339
where: short stacking energy: -69.283
Base-Backbone interact. energy: -0.656
local terms energy: -81.354979
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -254.194578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.194578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.194578 (E_RNA)
where:
Base-Base interactions energy: -158.976
where: short stacking energy: -66.716
Base-Backbone interact. energy: -0.171
local terms energy: -95.048261
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -199.591184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.591184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.591184 (E_RNA)
where:
Base-Base interactions energy: -115.155
where: short stacking energy: -58.015
Base-Backbone interact. energy: -0.234
local terms energy: -84.201450
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -184.191804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.191804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.191804 (E_RNA)
where:
Base-Base interactions energy: -105.670
where: short stacking energy: -51.174
Base-Backbone interact. energy: -0.254
local terms energy: -78.268142
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -10.877
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: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -375.612758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.612758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.612758 (E_RNA)
where:
Base-Base interactions energy: -255.470
where: short stacking energy: -110.688
Base-Backbone interact. energy: 0.505
local terms energy: -120.647291
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -33.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -343.477398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.477398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.477398 (E_RNA)
where:
Base-Base interactions energy: -227.754
where: short stacking energy: -103.408
Base-Backbone interact. energy: -0.175
local terms energy: -115.548330
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -25.777
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -28.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -331.079088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.079088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.079088 (E_RNA)
where:
Base-Base interactions energy: -218.879
where: short stacking energy: -103.045
Base-Backbone interact. energy: -1.100
local terms energy: -111.099577
where:
bonds (distance) C4'-P energy: -22.056
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -26.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -300.492348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.492348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.492348 (E_RNA)
where:
Base-Base interactions energy: -201.038
where: short stacking energy: -105.959
Base-Backbone interact. energy: -0.191
local terms energy: -99.262891
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -24.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -270.474720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.474720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.474720 (E_RNA)
where:
Base-Base interactions energy: -165.916
where: short stacking energy: -85.622
Base-Backbone interact. energy: -0.184
local terms energy: -104.375088
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -22.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -259.943435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.943435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.943435 (E_RNA)
where:
Base-Base interactions energy: -163.088
where: short stacking energy: -72.338
Base-Backbone interact. energy: -0.875
local terms energy: -95.980595
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -258.177201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.177201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.177201 (E_RNA)
where:
Base-Base interactions energy: -170.420
where: short stacking energy: -75.401
Base-Backbone interact. energy: 0.658
local terms energy: -88.415020
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -210.192515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.192515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.192515 (E_RNA)
where:
Base-Base interactions energy: -126.483
where: short stacking energy: -58.059
Base-Backbone interact. energy: -0.144
local terms energy: -83.565790
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -216.509532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.509532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.509532 (E_RNA)
where:
Base-Base interactions energy: -142.518
where: short stacking energy: -56.359
Base-Backbone interact. energy: -0.117
local terms energy: -73.874832
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -191.132818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.132818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.132818 (E_RNA)
where:
Base-Base interactions energy: -102.972
where: short stacking energy: -49.836
Base-Backbone interact. energy: -0.044
local terms energy: -88.117069
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -24.584
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -11.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -373.811612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.811612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.811612 (E_RNA)
where:
Base-Base interactions energy: -262.050
where: short stacking energy: -111.035
Base-Backbone interact. energy: -0.011
local terms energy: -111.750988
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -34.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -344.655681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.655681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.655681 (E_RNA)
where:
Base-Base interactions energy: -236.518
where: short stacking energy: -96.698
Base-Backbone interact. energy: -0.297
local terms energy: -107.840398
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -23.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -326.501581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.501581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.501581 (E_RNA)
where:
Base-Base interactions energy: -222.303
where: short stacking energy: -91.739
Base-Backbone interact. energy: -0.690
local terms energy: -103.508270
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -17.400
tors. eta vs tors. theta energy: -23.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -298.630911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.630911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.630911 (E_RNA)
where:
Base-Base interactions energy: -204.544
where: short stacking energy: -99.240
Base-Backbone interact. energy: -0.089
local terms energy: -93.998031
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -277.858789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.858789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.858789 (E_RNA)
where:
Base-Base interactions energy: -178.993
where: short stacking energy: -83.386
Base-Backbone interact. energy: -0.046
local terms energy: -98.819558
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -20.604
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -17.849
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: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -269.341717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.341717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.341717 (E_RNA)
where:
Base-Base interactions energy: -177.335
where: short stacking energy: -84.850
Base-Backbone interact. energy: -0.663
local terms energy: -91.343260
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -251.346463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.346463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.346463 (E_RNA)
where:
Base-Base interactions energy: -160.432
where: short stacking energy: -76.825
Base-Backbone interact. energy: -0.208
local terms energy: -90.705722
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -219.320510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.320510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.320510 (E_RNA)
where:
Base-Base interactions energy: -147.533
where: short stacking energy: -67.245
Base-Backbone interact. energy: -0.652
local terms energy: -71.135734
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -222.314549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.314549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.314549 (E_RNA)
where:
Base-Base interactions energy: -127.391
where: short stacking energy: -65.052
Base-Backbone interact. energy: -0.094
local terms energy: -94.829394
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -193.595099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.595099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.595099 (E_RNA)
where:
Base-Base interactions energy: -118.683
where: short stacking energy: -50.840
Base-Backbone interact. energy: -0.583
local terms energy: -74.328776
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -364.810585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.810585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.810585 (E_RNA)
where:
Base-Base interactions energy: -246.685
where: short stacking energy: -104.937
Base-Backbone interact. energy: -0.126
local terms energy: -117.999875
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -32.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -328.712037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.712037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.712037 (E_RNA)
where:
Base-Base interactions energy: -219.110
where: short stacking energy: -86.549
Base-Backbone interact. energy: -1.363
local terms energy: -108.239299
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -25.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -326.580588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.580588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.580588 (E_RNA)
where:
Base-Base interactions energy: -227.477
where: short stacking energy: -86.911
Base-Backbone interact. energy: -0.761
local terms energy: -98.342333
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -23.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -284.137494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.137494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.137494 (E_RNA)
where:
Base-Base interactions energy: -183.511
where: short stacking energy: -98.264
Base-Backbone interact. energy: -0.310
local terms energy: -100.316963
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -25.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -274.101903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.101903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.101903 (E_RNA)
where:
Base-Base interactions energy: -171.862
where: short stacking energy: -76.531
Base-Backbone interact. energy: -0.026
local terms energy: -102.214121
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -27.663
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -272.452139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.452139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.452139 (E_RNA)
where:
Base-Base interactions energy: -174.953
where: short stacking energy: -85.719
Base-Backbone interact. energy: -0.016
local terms energy: -97.482822
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -255.380062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.380062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.380062 (E_RNA)
where:
Base-Base interactions energy: -165.010
where: short stacking energy: -87.650
Base-Backbone interact. energy: -0.344
local terms energy: -90.026689
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -26.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -244.979293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.979293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.979293 (E_RNA)
where:
Base-Base interactions energy: -160.803
where: short stacking energy: -63.489
Base-Backbone interact. energy: -0.545
local terms energy: -83.631547
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -202.112988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.112988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.112988 (E_RNA)
where:
Base-Base interactions energy: -121.435
where: short stacking energy: -60.196
Base-Backbone interact. energy: -0.066
local terms energy: -80.612004
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -7.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -244.987339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.987339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.987339 (E_RNA)
where:
Base-Base interactions energy: -150.578
where: short stacking energy: -68.887
Base-Backbone interact. energy: -0.194
local terms energy: -94.214697
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -368.439110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.439110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.439110 (E_RNA)
where:
Base-Base interactions energy: -249.536
where: short stacking energy: -116.266
Base-Backbone interact. energy: 0.969
local terms energy: -119.872076
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -32.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -350.029243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.029243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.029243 (E_RNA)
where:
Base-Base interactions energy: -244.076
where: short stacking energy: -104.103
Base-Backbone interact. energy: -0.514
local terms energy: -105.438887
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -23.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -333.251515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.251515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.251515 (E_RNA)
where:
Base-Base interactions energy: -219.223
where: short stacking energy: -91.597
Base-Backbone interact. energy: -1.001
local terms energy: -113.027871
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -23.680
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -27.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -290.871298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.871298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.871298 (E_RNA)
where:
Base-Base interactions energy: -181.205
where: short stacking energy: -90.940
Base-Backbone interact. energy: -0.094
local terms energy: -109.571543
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -24.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -264.116332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.116332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.116332 (E_RNA)
where:
Base-Base interactions energy: -163.235
where: short stacking energy: -83.760
Base-Backbone interact. energy: 0.965
local terms energy: -101.846862
where:
bonds (distance) C4'-P energy: -23.212
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -263.156761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.156761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.156761 (E_RNA)
where:
Base-Base interactions energy: -169.384
where: short stacking energy: -74.544
Base-Backbone interact. energy: 0.397
local terms energy: -94.169147
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -252.937417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.937417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.937417 (E_RNA)
where:
Base-Base interactions energy: -165.928
where: short stacking energy: -79.589
Base-Backbone interact. energy: -0.005
local terms energy: -87.004870
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -252.584610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.584610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.584610 (E_RNA)
where:
Base-Base interactions energy: -157.452
where: short stacking energy: -68.621
Base-Backbone interact. energy: -0.196
local terms energy: -94.936775
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -203.267260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.267260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.267260 (E_RNA)
where:
Base-Base interactions energy: -128.911
where: short stacking energy: -64.648
Base-Backbone interact. energy: 1.379
local terms energy: -75.735235
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -11.461
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: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -223.338630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.338630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.338630 (E_RNA)
where:
Base-Base interactions energy: -139.618
where: short stacking energy: -53.769
Base-Backbone interact. energy: -0.280
local terms energy: -83.440614
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -10.889
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: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -372.968235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.968235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.968235 (E_RNA)
where:
Base-Base interactions energy: -251.519
where: short stacking energy: -113.609
Base-Backbone interact. energy: -0.001
local terms energy: -121.448799
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -26.070
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -33.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -331.039368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.039368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.039368 (E_RNA)
where:
Base-Base interactions energy: -229.987
where: short stacking energy: -96.636
Base-Backbone interact. energy: -0.276
local terms energy: -100.776103
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -23.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -335.520257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.520257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.520257 (E_RNA)
where:
Base-Base interactions energy: -231.462
where: short stacking energy: -92.292
Base-Backbone interact. energy: -0.714
local terms energy: -103.344892
where:
bonds (distance) C4'-P energy: -25.177
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -24.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -280.046015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.046015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.046015 (E_RNA)
where:
Base-Base interactions energy: -169.196
where: short stacking energy: -83.787
Base-Backbone interact. energy: -0.071
local terms energy: -110.779094
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -25.385
flat angles C4'-P-C4' energy: -26.703
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -23.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -280.578234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.578234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.578234 (E_RNA)
where:
Base-Base interactions energy: -175.234
where: short stacking energy: -90.983
Base-Backbone interact. energy: 0.065
local terms energy: -105.409483
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -23.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -275.420815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.420815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.420815 (E_RNA)
where:
Base-Base interactions energy: -177.133
where: short stacking energy: -82.612
Base-Backbone interact. energy: -0.679
local terms energy: -97.609000
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -253.811892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.811892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.811892 (E_RNA)
where:
Base-Base interactions energy: -170.814
where: short stacking energy: -72.351
Base-Backbone interact. energy: -0.136
local terms energy: -82.862523
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -13.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -245.198974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.198974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.198974 (E_RNA)
where:
Base-Base interactions energy: -161.021
where: short stacking energy: -74.445
Base-Backbone interact. energy: 0.013
local terms energy: -84.190961
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -214.946183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.946183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.946183 (E_RNA)
where:
Base-Base interactions energy: -137.521
where: short stacking energy: -56.012
Base-Backbone interact. energy: -0.826
local terms energy: -76.599123
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -206.680389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.680389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.680389 (E_RNA)
where:
Base-Base interactions energy: -130.758
where: short stacking energy: -64.470
Base-Backbone interact. energy: -0.267
local terms energy: -75.655465
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -11.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -369.415243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.415243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.415243 (E_RNA)
where:
Base-Base interactions energy: -253.167
where: short stacking energy: -117.066
Base-Backbone interact. energy: 0.750
local terms energy: -116.997791
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -32.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -344.999607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.999607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.999607 (E_RNA)
where:
Base-Base interactions energy: -230.519
where: short stacking energy: -107.070
Base-Backbone interact. energy: -0.775
local terms energy: -113.705669
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -28.237
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: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -338.993592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.993592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.993592 (E_RNA)
where:
Base-Base interactions energy: -228.268
where: short stacking energy: -91.893
Base-Backbone interact. energy: 0.215
local terms energy: -110.939972
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -27.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -304.163704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.163704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.163704 (E_RNA)
where:
Base-Base interactions energy: -196.214
where: short stacking energy: -95.510
Base-Backbone interact. energy: -0.006
local terms energy: -107.943248
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -27.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -265.323866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.323866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.323866 (E_RNA)
where:
Base-Base interactions energy: -169.573
where: short stacking energy: -86.040
Base-Backbone interact. energy: 1.965
local terms energy: -97.715196
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -23.485
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -22.432
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: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -270.274434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.274434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.274434 (E_RNA)
where:
Base-Base interactions energy: -173.653
where: short stacking energy: -75.955
Base-Backbone interact. energy: -0.317
local terms energy: -96.304661
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -23.925
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -276.535585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.535585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.535585 (E_RNA)
where:
Base-Base interactions energy: -185.020
where: short stacking energy: -81.766
Base-Backbone interact. energy: -0.800
local terms energy: -90.714703
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -22.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -243.039264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.039264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.039264 (E_RNA)
where:
Base-Base interactions energy: -155.346
where: short stacking energy: -67.251
Base-Backbone interact. energy: -0.291
local terms energy: -87.401821
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -227.854818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.854818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.854818 (E_RNA)
where:
Base-Base interactions energy: -151.428
where: short stacking energy: -73.350
Base-Backbone interact. energy: -0.280
local terms energy: -76.146210
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -17.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -199.160393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.160393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.160393 (E_RNA)
where:
Base-Base interactions energy: -133.689
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.252
local terms energy: -65.219512
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -7.302
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: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -365.010014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.010014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.010014 (E_RNA)
where:
Base-Base interactions energy: -240.598
where: short stacking energy: -109.705
Base-Backbone interact. energy: -0.090
local terms energy: -124.322676
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -26.944
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: -35.709
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: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -342.381234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.381234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.381234 (E_RNA)
where:
Base-Base interactions energy: -234.134
where: short stacking energy: -108.607
Base-Backbone interact. energy: 0.637
local terms energy: -108.884339
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -28.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -319.417838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.417838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.417838 (E_RNA)
where:
Base-Base interactions energy: -215.964
where: short stacking energy: -90.270
Base-Backbone interact. energy: -2.066
local terms energy: -101.387654
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -24.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -296.814332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.814332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.814332 (E_RNA)
where:
Base-Base interactions energy: -199.662
where: short stacking energy: -92.974
Base-Backbone interact. energy: -0.121
local terms energy: -97.031526
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: -23.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -289.177059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.177059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.177059 (E_RNA)
where:
Base-Base interactions energy: -184.224
where: short stacking energy: -87.464
Base-Backbone interact. energy: -0.031
local terms energy: -104.922457
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -25.042
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: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -273.579488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.579488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.579488 (E_RNA)
where:
Base-Base interactions energy: -179.425
where: short stacking energy: -90.845
Base-Backbone interact. energy: -0.588
local terms energy: -93.566743
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -27.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -252.595177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.595177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.595177 (E_RNA)
where:
Base-Base interactions energy: -164.678
where: short stacking energy: -75.966
Base-Backbone interact. energy: -0.485
local terms energy: -87.432336
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -23.941
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -212.187978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.187978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.187978 (E_RNA)
where:
Base-Base interactions energy: -132.495
where: short stacking energy: -55.175
Base-Backbone interact. energy: -0.767
local terms energy: -78.925731
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -235.503335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.503335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.503335 (E_RNA)
where:
Base-Base interactions energy: -151.741
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.234
local terms energy: -83.528052
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -191.647178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.647178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.647178 (E_RNA)
where:
Base-Base interactions energy: -123.420
where: short stacking energy: -67.945
Base-Backbone interact. energy: 1.277
local terms energy: -69.503838
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -7.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -364.216454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.216454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.216454 (E_RNA)
where:
Base-Base interactions energy: -250.555
where: short stacking energy: -109.029
Base-Backbone interact. energy: -0.037
local terms energy: -113.624741
where:
bonds (distance) C4'-P energy: -25.133
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -30.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -314.314412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.314412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.314412 (E_RNA)
where:
Base-Base interactions energy: -214.266
where: short stacking energy: -73.984
Base-Backbone interact. energy: 0.791
local terms energy: -100.839516
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -324.589100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.589100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.589100 (E_RNA)
where:
Base-Base interactions energy: -219.322
where: short stacking energy: -92.459
Base-Backbone interact. energy: -0.383
local terms energy: -104.884492
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -25.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -296.669652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.669652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.669652 (E_RNA)
where:
Base-Base interactions energy: -183.422
where: short stacking energy: -80.673
Base-Backbone interact. energy: -0.555
local terms energy: -112.692092
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -25.182
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: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -277.581053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.581053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.581053 (E_RNA)
where:
Base-Base interactions energy: -177.234
where: short stacking energy: -81.308
Base-Backbone interact. energy: -0.185
local terms energy: -100.162397
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -23.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -284.110190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.110190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.110190 (E_RNA)
where:
Base-Base interactions energy: -191.364
where: short stacking energy: -85.229
Base-Backbone interact. energy: -2.406
local terms energy: -90.339888
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -22.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -262.631387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.631387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.631387 (E_RNA)
where:
Base-Base interactions energy: -179.307
where: short stacking energy: -70.034
Base-Backbone interact. energy: -0.348
local terms energy: -82.976361
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -237.792961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.792961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.792961 (E_RNA)
where:
Base-Base interactions energy: -153.676
where: short stacking energy: -74.225
Base-Backbone interact. energy: -0.053
local terms energy: -84.063977
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -202.203317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.203317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.203317 (E_RNA)
where:
Base-Base interactions energy: -127.548
where: short stacking energy: -46.682
Base-Backbone interact. energy: -0.361
local terms energy: -74.294485
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -191.393067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.393067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.393067 (E_RNA)
where:
Base-Base interactions energy: -121.396
where: short stacking energy: -50.603
Base-Backbone interact. energy: 0.408
local terms energy: -70.404366
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -364.859409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.859409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.859409 (E_RNA)
where:
Base-Base interactions energy: -240.115
where: short stacking energy: -113.073
Base-Backbone interact. energy: -0.017
local terms energy: -124.727587
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -25.487
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -34.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -320.776284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.776284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.776284 (E_RNA)
where:
Base-Base interactions energy: -226.588
where: short stacking energy: -86.417
Base-Backbone interact. energy: 2.409
local terms energy: -96.597792
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -22.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -321.746325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.746325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.746325 (E_RNA)
where:
Base-Base interactions energy: -219.943
where: short stacking energy: -97.350
Base-Backbone interact. energy: -0.147
local terms energy: -101.655825
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -23.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -294.400094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.400094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.400094 (E_RNA)
where:
Base-Base interactions energy: -199.540
where: short stacking energy: -73.681
Base-Backbone interact. energy: -0.479
local terms energy: -94.380624
where:
bonds (distance) C4'-P energy: -24.221
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -274.519892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.519892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.519892 (E_RNA)
where:
Base-Base interactions energy: -172.646
where: short stacking energy: -91.131
Base-Backbone interact. energy: 0.072
local terms energy: -101.945755
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -267.838886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.838886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.838886 (E_RNA)
where:
Base-Base interactions energy: -169.732
where: short stacking energy: -80.921
Base-Backbone interact. energy: -0.459
local terms energy: -97.648696
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -249.557784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.557784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.557784 (E_RNA)
where:
Base-Base interactions energy: -157.118
where: short stacking energy: -66.509
Base-Backbone interact. energy: -0.330
local terms energy: -92.109741
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -7.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -252.729067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.729067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.729067 (E_RNA)
where:
Base-Base interactions energy: -175.816
where: short stacking energy: -73.875
Base-Backbone interact. energy: -0.655
local terms energy: -76.258452
where:
bonds (distance) C4'-P energy: -7.604
bonds (distance) P-C4' energy: -23.717
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -238.897538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.897538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.897538 (E_RNA)
where:
Base-Base interactions energy: -150.274
where: short stacking energy: -81.064
Base-Backbone interact. energy: 0.348
local terms energy: -88.971573
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -199.906370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.906370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.906370 (E_RNA)
where:
Base-Base interactions energy: -120.072
where: short stacking energy: -62.657
Base-Backbone interact. energy: 0.181
local terms energy: -80.015374
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -6.302
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: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -373.503650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.503650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.503650 (E_RNA)
where:
Base-Base interactions energy: -261.802
where: short stacking energy: -114.160
Base-Backbone interact. energy: -0.018
local terms energy: -111.682969
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -31.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -337.770205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.770205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.770205 (E_RNA)
where:
Base-Base interactions energy: -229.607
where: short stacking energy: -94.132
Base-Backbone interact. energy: -0.639
local terms energy: -107.524244
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -23.161
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -28.373
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: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -339.643430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.643430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.643430 (E_RNA)
where:
Base-Base interactions energy: -233.825
where: short stacking energy: -91.823
Base-Backbone interact. energy: -1.530
local terms energy: -104.288377
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -29.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -290.714200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.714200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.714200 (E_RNA)
where:
Base-Base interactions energy: -195.927
where: short stacking energy: -98.726
Base-Backbone interact. energy: -0.092
local terms energy: -94.694951
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -26.850
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: 10
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -280.549771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.549771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.549771 (E_RNA)
where:
Base-Base interactions energy: -176.896
where: short stacking energy: -89.511
Base-Backbone interact. energy: -0.077
local terms energy: -103.576158
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -23.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -250.273141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.273141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.273141 (E_RNA)
where:
Base-Base interactions energy: -170.241
where: short stacking energy: -67.867
Base-Backbone interact. energy: -0.683
local terms energy: -79.349731
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -265.749079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.749079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.749079 (E_RNA)
where:
Base-Base interactions energy: -169.781
where: short stacking energy: -73.606
Base-Backbone interact. energy: 0.307
local terms energy: -96.275129
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -25.142
flat angles C4'-P-C4' energy: -24.037
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -208.878862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.878862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.878862 (E_RNA)
where:
Base-Base interactions energy: -122.300
where: short stacking energy: -58.894
Base-Backbone interact. energy: -0.227
local terms energy: -86.351473
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -202.946855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.946855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.946855 (E_RNA)
where:
Base-Base interactions energy: -129.008
where: short stacking energy: -64.188
Base-Backbone interact. energy: 2.086
local terms energy: -76.024715
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -11.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -197.555722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.555722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.555722 (E_RNA)
where:
Base-Base interactions energy: -132.138
where: short stacking energy: -66.261
Base-Backbone interact. energy: 0.574
local terms energy: -65.990912
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -14.422
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: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -370.323444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.323444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.323444 (E_RNA)
where:
Base-Base interactions energy: -250.371
where: short stacking energy: -107.829
Base-Backbone interact. energy: -0.061
local terms energy: -119.891184
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -26.476
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -32.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -328.600674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.600674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.600674 (E_RNA)
where:
Base-Base interactions energy: -221.184
where: short stacking energy: -104.962
Base-Backbone interact. energy: -0.130
local terms energy: -107.286118
where:
bonds (distance) C4'-P energy: -21.081
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -24.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -335.290855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.290855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.290855 (E_RNA)
where:
Base-Base interactions energy: -215.002
where: short stacking energy: -98.179
Base-Backbone interact. energy: -0.662
local terms energy: -119.626070
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -26.951
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -294.721815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.721815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.721815 (E_RNA)
where:
Base-Base interactions energy: -188.252
where: short stacking energy: -98.215
Base-Backbone interact. energy: -0.029
local terms energy: -106.441372
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -25.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -284.442824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.442824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.442824 (E_RNA)
where:
Base-Base interactions energy: -182.610
where: short stacking energy: -94.048
Base-Backbone interact. energy: -0.648
local terms energy: -101.184255
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -31.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -265.317773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.317773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.317773 (E_RNA)
where:
Base-Base interactions energy: -174.810
where: short stacking energy: -83.044
Base-Backbone interact. energy: -0.135
local terms energy: -90.372541
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -23.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -256.203323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.203323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.203323 (E_RNA)
where:
Base-Base interactions energy: -165.237
where: short stacking energy: -80.774
Base-Backbone interact. energy: 0.143
local terms energy: -91.108913
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -215.387018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.387018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.387018 (E_RNA)
where:
Base-Base interactions energy: -127.122
where: short stacking energy: -66.955
Base-Backbone interact. energy: -0.465
local terms energy: -87.800753
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -239.332219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.332219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.332219 (E_RNA)
where:
Base-Base interactions energy: -159.505
where: short stacking energy: -65.399
Base-Backbone interact. energy: -0.061
local terms energy: -79.766218
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -12.299
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: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -200.604157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.604157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.604157 (E_RNA)
where:
Base-Base interactions energy: -122.811
where: short stacking energy: -44.034
Base-Backbone interact. energy: -0.298
local terms energy: -77.494454
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -375.618639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.618639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.618639 (E_RNA)
where:
Base-Base interactions energy: -261.852
where: short stacking energy: -116.108
Base-Backbone interact. energy: 0.465
local terms energy: -114.231382
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -25.910
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -32.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -336.345020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.345020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.345020 (E_RNA)
where:
Base-Base interactions energy: -218.129
where: short stacking energy: -98.622
Base-Backbone interact. energy: -0.066
local terms energy: -118.149342
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -17.967
tors. eta vs tors. theta energy: -31.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -330.451777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.451777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.451777 (E_RNA)
where:
Base-Base interactions energy: -211.314
where: short stacking energy: -93.853
Base-Backbone interact. energy: -0.282
local terms energy: -118.854852
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -24.112
flat angles C4'-P-C4' energy: -23.904
flat angles P-C4'-P energy: -20.992
tors. eta vs tors. theta energy: -29.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -293.120946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.120946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.120946 (E_RNA)
where:
Base-Base interactions energy: -193.071
where: short stacking energy: -92.786
Base-Backbone interact. energy: -0.136
local terms energy: -99.914359
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -23.914
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: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -271.478024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.478024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.478024 (E_RNA)
where:
Base-Base interactions energy: -176.535
where: short stacking energy: -70.909
Base-Backbone interact. energy: 0.906
local terms energy: -95.848415
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -275.237620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.237620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.237620 (E_RNA)
where:
Base-Base interactions energy: -172.966
where: short stacking energy: -86.464
Base-Backbone interact. energy: -0.439
local terms energy: -101.832084
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -23.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -266.514680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.514680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.514680 (E_RNA)
where:
Base-Base interactions energy: -168.705
where: short stacking energy: -77.871
Base-Backbone interact. energy: -0.501
local terms energy: -97.308559
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -21.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -254.944646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.944646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.944646 (E_RNA)
where:
Base-Base interactions energy: -163.915
where: short stacking energy: -76.648
Base-Backbone interact. energy: -0.275
local terms energy: -90.754534
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -208.163041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.163041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.163041 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -59.354
Base-Backbone interact. energy: 0.182
local terms energy: -84.843078
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -185.519587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.519587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.519587 (E_RNA)
where:
Base-Base interactions energy: -113.340
where: short stacking energy: -59.061
Base-Backbone interact. energy: -0.123
local terms energy: -72.056446
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -374.520308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.520308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.520308 (E_RNA)
where:
Base-Base interactions energy: -247.480
where: short stacking energy: -102.404
Base-Backbone interact. energy: -0.095
local terms energy: -126.945572
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -23.880
flat angles C4'-P-C4' energy: -26.512
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -34.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -332.370229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.370229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.370229 (E_RNA)
where:
Base-Base interactions energy: -232.311
where: short stacking energy: -94.776
Base-Backbone interact. energy: 2.571
local terms energy: -102.630277
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -15.418
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: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -331.099492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.099492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.099492 (E_RNA)
where:
Base-Base interactions energy: -221.241
where: short stacking energy: -104.862
Base-Backbone interact. energy: -0.314
local terms energy: -109.544520
where:
bonds (distance) C4'-P energy: -25.132
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -24.570
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -26.805
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: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -295.540580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.540580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.540580 (E_RNA)
where:
Base-Base interactions energy: -189.639
where: short stacking energy: -82.263
Base-Backbone interact. energy: -0.120
local terms energy: -105.781284
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -25.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -286.179876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.179876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.179876 (E_RNA)
where:
Base-Base interactions energy: -185.119
where: short stacking energy: -88.045
Base-Backbone interact. energy: -0.254
local terms energy: -100.806109
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -24.599
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -255.701146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.701146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.701146 (E_RNA)
where:
Base-Base interactions energy: -156.678
where: short stacking energy: -74.056
Base-Backbone interact. energy: -0.294
local terms energy: -98.729102
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -23.906
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -277.488066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.488066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.488066 (E_RNA)
where:
Base-Base interactions energy: -170.932
where: short stacking energy: -86.144
Base-Backbone interact. energy: -0.031
local terms energy: -106.524829
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -26.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -236.510027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.510027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.510027 (E_RNA)
where:
Base-Base interactions energy: -146.096
where: short stacking energy: -75.202
Base-Backbone interact. energy: -0.107
local terms energy: -90.306233
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -190.577567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.577567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.577567 (E_RNA)
where:
Base-Base interactions energy: -111.635
where: short stacking energy: -56.046
Base-Backbone interact. energy: 0.043
local terms energy: -78.985285
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -13.562
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: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -240.007869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.007869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.007869 (E_RNA)
where:
Base-Base interactions energy: -161.321
where: short stacking energy: -75.482
Base-Backbone interact. energy: -0.677
local terms energy: -78.010057
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -367.083070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.083070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.083070 (E_RNA)
where:
Base-Base interactions energy: -253.523
where: short stacking energy: -108.855
Base-Backbone interact. energy: 0.184
local terms energy: -113.744112
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -25.073
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -33.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -356.922794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.922794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.922794 (E_RNA)
where:
Base-Base interactions energy: -246.613
where: short stacking energy: -107.787
Base-Backbone interact. energy: 0.540
local terms energy: -110.849914
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -26.023
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -22.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -320.956800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.956800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.956800 (E_RNA)
where:
Base-Base interactions energy: -206.561
where: short stacking energy: -100.611
Base-Backbone interact. energy: -0.839
local terms energy: -113.556584
where:
bonds (distance) C4'-P energy: -23.002
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -21.140
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -29.963
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: 4, replica: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -297.429091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.429091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.429091 (E_RNA)
where:
Base-Base interactions energy: -197.848
where: short stacking energy: -85.587
Base-Backbone interact. energy: -0.855
local terms energy: -98.726270
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -286.156613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.156613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.156613 (E_RNA)
where:
Base-Base interactions energy: -192.322
where: short stacking energy: -81.402
Base-Backbone interact. energy: -0.863
local terms energy: -92.972048
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -15.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -272.800985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.800985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.800985 (E_RNA)
where:
Base-Base interactions energy: -169.778
where: short stacking energy: -81.684
Base-Backbone interact. energy: -0.768
local terms energy: -102.255374
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -22.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -244.837305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.837305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.837305 (E_RNA)
where:
Base-Base interactions energy: -155.965
where: short stacking energy: -61.229
Base-Backbone interact. energy: -0.924
local terms energy: -87.948313
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -268.375033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.375033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.375033 (E_RNA)
where:
Base-Base interactions energy: -175.642
where: short stacking energy: -86.425
Base-Backbone interact. energy: -0.457
local terms energy: -92.275600
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -15.333
tors. eta vs tors. theta energy: -27.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -194.528775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.528775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.528775 (E_RNA)
where:
Base-Base interactions energy: -112.840
where: short stacking energy: -53.739
Base-Backbone interact. energy: -0.249
local terms energy: -81.440089
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -9.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -205.416773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.416773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.416773 (E_RNA)
where:
Base-Base interactions energy: -130.567
where: short stacking energy: -49.694
Base-Backbone interact. energy: -0.072
local terms energy: -74.777835
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -361.276366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.276366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.276366 (E_RNA)
where:
Base-Base interactions energy: -253.693
where: short stacking energy: -113.326
Base-Backbone interact. energy: -0.451
local terms energy: -107.131822
where:
bonds (distance) C4'-P energy: -23.981
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -24.305
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -21.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -366.298880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.298880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.298880 (E_RNA)
where:
Base-Base interactions energy: -255.425
where: short stacking energy: -107.722
Base-Backbone interact. energy: -0.018
local terms energy: -110.856168
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -24.707
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -36.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -315.042108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.042108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.042108 (E_RNA)
where:
Base-Base interactions energy: -208.127
where: short stacking energy: -93.746
Base-Backbone interact. energy: -1.123
local terms energy: -105.792156
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -23.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -290.251388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.251388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.251388 (E_RNA)
where:
Base-Base interactions energy: -185.986
where: short stacking energy: -86.740
Base-Backbone interact. energy: 0.346
local terms energy: -104.611527
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -25.232
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -293.254984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.254984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.254984 (E_RNA)
where:
Base-Base interactions energy: -187.425
where: short stacking energy: -79.945
Base-Backbone interact. energy: 1.435
local terms energy: -107.265682
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -258.920265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.920265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.920265 (E_RNA)
where:
Base-Base interactions energy: -163.699
where: short stacking energy: -77.686
Base-Backbone interact. energy: -0.113
local terms energy: -95.108231
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -244.943272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.943272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.943272 (E_RNA)
where:
Base-Base interactions energy: -151.610
where: short stacking energy: -66.720
Base-Backbone interact. energy: -0.663
local terms energy: -92.670554
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -236.704959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.704959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.704959 (E_RNA)
where:
Base-Base interactions energy: -163.990
where: short stacking energy: -69.226
Base-Backbone interact. energy: -0.249
local terms energy: -72.465551
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -9.071
flat angles C4'-P-C4' energy: -22.645
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -12.309
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: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -205.387530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.387530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.387530 (E_RNA)
where:
Base-Base interactions energy: -125.816
where: short stacking energy: -54.817
Base-Backbone interact. energy: -0.836
local terms energy: -78.735742
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -194.455165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.455165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.455165 (E_RNA)
where:
Base-Base interactions energy: -121.989
where: short stacking energy: -57.015
Base-Backbone interact. energy: 1.145
local terms energy: -73.610984
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -359.307157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.307157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.307157 (E_RNA)
where:
Base-Base interactions energy: -248.346
where: short stacking energy: -103.956
Base-Backbone interact. energy: 0.372
local terms energy: -111.333061
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -25.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -365.669238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.669238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.669238 (E_RNA)
where:
Base-Base interactions energy: -248.856
where: short stacking energy: -104.574
Base-Backbone interact. energy: -0.050
local terms energy: -116.763539
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -28.031
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -31.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -341.532500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.532500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.532500 (E_RNA)
where:
Base-Base interactions energy: -233.012
where: short stacking energy: -104.332
Base-Backbone interact. energy: -0.305
local terms energy: -108.215964
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -25.045
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: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -293.374707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.374707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.374707 (E_RNA)
where:
Base-Base interactions energy: -191.928
where: short stacking energy: -94.085
Base-Backbone interact. energy: -0.094
local terms energy: -101.352903
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -18.851
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -273.020524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.020524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.020524 (E_RNA)
where:
Base-Base interactions energy: -186.991
where: short stacking energy: -91.100
Base-Backbone interact. energy: -0.542
local terms energy: -85.487736
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -21.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -268.791549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.791549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.791549 (E_RNA)
where:
Base-Base interactions energy: -184.206
where: short stacking energy: -77.422
Base-Backbone interact. energy: -0.442
local terms energy: -84.143038
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -260.436317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.436317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.436317 (E_RNA)
where:
Base-Base interactions energy: -173.534
where: short stacking energy: -72.458
Base-Backbone interact. energy: -0.431
local terms energy: -86.470429
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -14.161
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: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -213.774214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.774214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.774214 (E_RNA)
where:
Base-Base interactions energy: -138.805
where: short stacking energy: -68.763
Base-Backbone interact. energy: -0.096
local terms energy: -74.873118
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -9.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -240.906051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.906051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.906051 (E_RNA)
where:
Base-Base interactions energy: -146.477
where: short stacking energy: -62.394
Base-Backbone interact. energy: -0.099
local terms energy: -94.329653
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -203.596921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.596921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.596921 (E_RNA)
where:
Base-Base interactions energy: -130.011
where: short stacking energy: -59.519
Base-Backbone interact. energy: -0.762
local terms energy: -72.824267
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -376.384645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.384645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.384645 (E_RNA)
where:
Base-Base interactions energy: -251.167
where: short stacking energy: -106.034
Base-Backbone interact. energy: -0.620
local terms energy: -124.597863
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -27.131
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -34.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -352.678697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.678697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.678697 (E_RNA)
where:
Base-Base interactions energy: -246.153
where: short stacking energy: -98.906
Base-Backbone interact. energy: 0.483
local terms energy: -107.008492
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -18.967
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -332.222409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.222409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.222409 (E_RNA)
where:
Base-Base interactions energy: -227.739
where: short stacking energy: -102.263
Base-Backbone interact. energy: -0.955
local terms energy: -103.529170
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -25.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -310.588816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.588816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.588816 (E_RNA)
where:
Base-Base interactions energy: -206.213
where: short stacking energy: -101.234
Base-Backbone interact. energy: 0.021
local terms energy: -104.395989
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -23.598
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -28.010
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: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -272.747546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.747546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.747546 (E_RNA)
where:
Base-Base interactions energy: -173.228
where: short stacking energy: -79.671
Base-Backbone interact. energy: -0.081
local terms energy: -99.438630
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -18.315
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -273.619208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.619208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.619208 (E_RNA)
where:
Base-Base interactions energy: -184.605
where: short stacking energy: -96.261
Base-Backbone interact. energy: -0.330
local terms energy: -88.684065
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -271.666889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.666889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.666889 (E_RNA)
where:
Base-Base interactions energy: -167.306
where: short stacking energy: -76.094
Base-Backbone interact. energy: -0.007
local terms energy: -104.354370
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -26.698
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -22.266
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: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -213.996921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.996921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.996921 (E_RNA)
where:
Base-Base interactions energy: -130.170
where: short stacking energy: -57.240
Base-Backbone interact. energy: 0.034
local terms energy: -83.861201
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -236.961226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.961226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.961226 (E_RNA)
where:
Base-Base interactions energy: -143.548
where: short stacking energy: -66.459
Base-Backbone interact. energy: -0.644
local terms energy: -92.768516
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -19.195
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: 10, replica: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -211.800073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.800073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.800073 (E_RNA)
where:
Base-Base interactions energy: -121.876
where: short stacking energy: -65.404
Base-Backbone interact. energy: 0.279
local terms energy: -90.202563
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -366.863919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.863919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.863919 (E_RNA)
where:
Base-Base interactions energy: -248.565
where: short stacking energy: -104.995
Base-Backbone interact. energy: -0.016
local terms energy: -118.282870
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -35.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -353.137500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.137500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.137500 (E_RNA)
where:
Base-Base interactions energy: -244.886
where: short stacking energy: -101.385
Base-Backbone interact. energy: 0.701
local terms energy: -108.953010
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -19.116
tors. eta vs tors. theta energy: -21.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -324.194865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.194865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.194865 (E_RNA)
where:
Base-Base interactions energy: -216.616
where: short stacking energy: -104.069
Base-Backbone interact. energy: -0.105
local terms energy: -107.474195
where:
bonds (distance) C4'-P energy: -26.500
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: -27.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -286.984922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.984922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.984922 (E_RNA)
where:
Base-Base interactions energy: -179.312
where: short stacking energy: -89.800
Base-Backbone interact. energy: -0.126
local terms energy: -107.546551
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -26.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -279.462846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.462846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.462846 (E_RNA)
where:
Base-Base interactions energy: -183.785
where: short stacking energy: -87.103
Base-Backbone interact. energy: -0.312
local terms energy: -95.365415
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -20.498
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: 475
Temperature: 1.150000
Total energy: -266.305839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.305839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.305839 (E_RNA)
where:
Base-Base interactions energy: -174.383
where: short stacking energy: -76.497
Base-Backbone interact. energy: -0.148
local terms energy: -91.775626
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -254.083864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.083864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.083864 (E_RNA)
where:
Base-Base interactions energy: -158.861
where: short stacking energy: -74.264
Base-Backbone interact. energy: 0.762
local terms energy: -95.985340
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -233.323821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.323821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.323821 (E_RNA)
where:
Base-Base interactions energy: -139.170
where: short stacking energy: -69.984
Base-Backbone interact. energy: -0.964
local terms energy: -93.189622
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -214.812234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.812234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.812234 (E_RNA)
where:
Base-Base interactions energy: -122.921
where: short stacking energy: -64.332
Base-Backbone interact. energy: -0.130
local terms energy: -91.761738
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -188.333486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.333486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.333486 (E_RNA)
where:
Base-Base interactions energy: -119.927
where: short stacking energy: -50.865
Base-Backbone interact. energy: -0.536
local terms energy: -67.870823
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -363.910508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.910508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.910508 (E_RNA)
where:
Base-Base interactions energy: -245.059
where: short stacking energy: -112.565
Base-Backbone interact. energy: 0.400
local terms energy: -119.251810
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -34.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -354.118515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.118515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.118515 (E_RNA)
where:
Base-Base interactions energy: -247.467
where: short stacking energy: -100.604
Base-Backbone interact. energy: -0.460
local terms energy: -106.191449
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -27.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -336.658522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.658522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.658522 (E_RNA)
where:
Base-Base interactions energy: -221.415
where: short stacking energy: -94.266
Base-Backbone interact. energy: -0.053
local terms energy: -115.190811
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -23.193
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -18.672
tors. eta vs tors. theta energy: -29.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -278.721109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.721109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.721109 (E_RNA)
where:
Base-Base interactions energy: -174.556
where: short stacking energy: -87.167
Base-Backbone interact. energy: -0.141
local terms energy: -104.024420
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -27.424
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: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -283.090870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.090870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.090870 (E_RNA)
where:
Base-Base interactions energy: -195.444
where: short stacking energy: -78.492
Base-Backbone interact. energy: -0.277
local terms energy: -87.369580
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -19.472
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -283.068186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.068186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.068186 (E_RNA)
where:
Base-Base interactions energy: -174.933
where: short stacking energy: -84.366
Base-Backbone interact. energy: -0.710
local terms energy: -107.424331
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -25.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -256.476707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.476707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.476707 (E_RNA)
where:
Base-Base interactions energy: -164.551
where: short stacking energy: -66.581
Base-Backbone interact. energy: -0.572
local terms energy: -91.353868
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -247.637613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.637613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.637613 (E_RNA)
where:
Base-Base interactions energy: -160.817
where: short stacking energy: -77.759
Base-Backbone interact. energy: 2.557
local terms energy: -89.376644
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -22.004
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -199.526079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.526079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.526079 (E_RNA)
where:
Base-Base interactions energy: -116.697
where: short stacking energy: -57.665
Base-Backbone interact. energy: 1.472
local terms energy: -84.300862
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -201.701315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.701315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.701315 (E_RNA)
where:
Base-Base interactions energy: -124.002
where: short stacking energy: -50.408
Base-Backbone interact. energy: -0.296
local terms energy: -77.403274
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -372.546909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.546909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.546909 (E_RNA)
where:
Base-Base interactions energy: -251.984
where: short stacking energy: -101.748
Base-Backbone interact. energy: -0.012
local terms energy: -120.550233
where:
bonds (distance) C4'-P energy: -25.436
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -26.018
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -30.428
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: 2, replica: 1
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -343.136338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.136338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.136338 (E_RNA)
where:
Base-Base interactions energy: -229.485
where: short stacking energy: -108.677
Base-Backbone interact. energy: -0.516
local terms energy: -113.135997
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -27.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -349.388236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.388236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.388236 (E_RNA)
where:
Base-Base interactions energy: -243.205
where: short stacking energy: -95.036
Base-Backbone interact. energy: -0.887
local terms energy: -105.295735
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -27.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -302.577039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.577039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.577039 (E_RNA)
where:
Base-Base interactions energy: -213.996
where: short stacking energy: -92.946
Base-Backbone interact. energy: -0.185
local terms energy: -88.396127
where:
bonds (distance) C4'-P energy: -21.771
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -283.785589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.785589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.785589 (E_RNA)
where:
Base-Base interactions energy: -182.037
where: short stacking energy: -88.325
Base-Backbone interact. energy: -0.344
local terms energy: -101.404206
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -28.699
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: 6, replica: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -255.159127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.159127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.159127 (E_RNA)
where:
Base-Base interactions energy: -161.090
where: short stacking energy: -80.255
Base-Backbone interact. energy: -0.116
local terms energy: -93.953043
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -20.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -261.143549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.143549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.143549 (E_RNA)
where:
Base-Base interactions energy: -169.664
where: short stacking energy: -64.404
Base-Backbone interact. energy: -0.286
local terms energy: -91.194094
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -205.969290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.969290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.969290 (E_RNA)
where:
Base-Base interactions energy: -142.062
where: short stacking energy: -47.602
Base-Backbone interact. energy: 0.023
local terms energy: -63.930380
where:
bonds (distance) C4'-P energy: -21.229
bonds (distance) P-C4' energy: -10.730
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -232.441396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.441396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.441396 (E_RNA)
where:
Base-Base interactions energy: -141.938
where: short stacking energy: -59.386
Base-Backbone interact. energy: -0.074
local terms energy: -90.429733
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -24.384
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -186.602445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.602445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.602445 (E_RNA)
where:
Base-Base interactions energy: -105.532
where: short stacking energy: -50.437
Base-Backbone interact. energy: -0.930
local terms energy: -80.140733
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -10.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -377.246531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.246531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.246531 (E_RNA)
where:
Base-Base interactions energy: -254.393
where: short stacking energy: -113.050
Base-Backbone interact. energy: -0.207
local terms energy: -122.646571
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -24.784
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -34.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -342.143977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.143977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.143977 (E_RNA)
where:
Base-Base interactions energy: -241.591
where: short stacking energy: -114.527
Base-Backbone interact. energy: -0.211
local terms energy: -100.341922
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -22.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -338.545865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.545865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.545865 (E_RNA)
where:
Base-Base interactions energy: -226.547
where: short stacking energy: -105.109
Base-Backbone interact. energy: 0.572
local terms energy: -112.570893
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -25.036
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -28.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -292.178847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.178847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.178847 (E_RNA)
where:
Base-Base interactions energy: -194.184
where: short stacking energy: -75.082
Base-Backbone interact. energy: -0.154
local terms energy: -97.840091
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -16.388
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: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -263.782694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.782694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.782694 (E_RNA)
where:
Base-Base interactions energy: -181.564
where: short stacking energy: -82.252
Base-Backbone interact. energy: -0.194
local terms energy: -82.024781
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -15.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -255.756204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.756204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.756204 (E_RNA)
where:
Base-Base interactions energy: -160.520
where: short stacking energy: -68.301
Base-Backbone interact. energy: -0.361
local terms energy: -94.874935
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -22.778
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -261.772592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.772592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.772592 (E_RNA)
where:
Base-Base interactions energy: -166.158
where: short stacking energy: -76.065
Base-Backbone interact. energy: -0.232
local terms energy: -95.382390
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -259.257116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.257116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.257116 (E_RNA)
where:
Base-Base interactions energy: -162.023
where: short stacking energy: -69.609
Base-Backbone interact. energy: 0.954
local terms energy: -98.188469
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -217.014791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.014791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.014791 (E_RNA)
where:
Base-Base interactions energy: -137.662
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.185
local terms energy: -79.167561
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -15.181
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: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -190.534880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.534880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.534880 (E_RNA)
where:
Base-Base interactions energy: -109.906
where: short stacking energy: -54.266
Base-Backbone interact. energy: -0.925
local terms energy: -79.703555
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -366.145559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.145559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.145559 (E_RNA)
where:
Base-Base interactions energy: -260.235
where: short stacking energy: -108.561
Base-Backbone interact. energy: 0.143
local terms energy: -106.053832
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -31.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -349.416256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.416256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.416256 (E_RNA)
where:
Base-Base interactions energy: -240.888
where: short stacking energy: -104.553
Base-Backbone interact. energy: -0.622
local terms energy: -107.906248
where:
bonds (distance) C4'-P energy: -24.653
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -28.326
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: 3, replica: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -359.595252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.595252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.595252 (E_RNA)
where:
Base-Base interactions energy: -242.277
where: short stacking energy: -99.705
Base-Backbone interact. energy: -0.259
local terms energy: -117.059617
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -27.579
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -26.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -281.104821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.104821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.104821 (E_RNA)
where:
Base-Base interactions energy: -187.839
where: short stacking energy: -83.810
Base-Backbone interact. energy: 0.032
local terms energy: -93.298399
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -25.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -286.061679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.061679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.061679 (E_RNA)
where:
Base-Base interactions energy: -187.473
where: short stacking energy: -77.511
Base-Backbone interact. energy: 0.068
local terms energy: -98.656492
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -24.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -308.150977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.150977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.150977 (E_RNA)
where:
Base-Base interactions energy: -201.623
where: short stacking energy: -84.977
Base-Backbone interact. energy: -0.696
local terms energy: -105.832407
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -23.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -251.108525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.108525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.108525 (E_RNA)
where:
Base-Base interactions energy: -158.190
where: short stacking energy: -66.966
Base-Backbone interact. energy: -1.199
local terms energy: -91.719767
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -17.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -244.030814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.030814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.030814 (E_RNA)
where:
Base-Base interactions energy: -147.279
where: short stacking energy: -68.462
Base-Backbone interact. energy: 1.981
local terms energy: -98.732609
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -206.270249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.270249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.270249 (E_RNA)
where:
Base-Base interactions energy: -126.448
where: short stacking energy: -59.064
Base-Backbone interact. energy: -0.322
local terms energy: -79.500166
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -186.196883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.196883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.196883 (E_RNA)
where:
Base-Base interactions energy: -108.571
where: short stacking energy: -50.999
Base-Backbone interact. energy: -0.340
local terms energy: -77.285729
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -20.106
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -373.760713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.760713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.760713 (E_RNA)
where:
Base-Base interactions energy: -257.026
where: short stacking energy: -115.776
Base-Backbone interact. energy: -0.189
local terms energy: -116.545791
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -26.749
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -35.009
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: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -349.585542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.585542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.585542 (E_RNA)
where:
Base-Base interactions energy: -235.934
where: short stacking energy: -107.393
Base-Backbone interact. energy: 0.021
local terms energy: -113.672359
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -31.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -337.291968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.291968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.291968 (E_RNA)
where:
Base-Base interactions energy: -221.158
where: short stacking energy: -98.747
Base-Backbone interact. energy: -0.678
local terms energy: -115.456096
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -25.901
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -26.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -278.650877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.650877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.650877 (E_RNA)
where:
Base-Base interactions energy: -177.107
where: short stacking energy: -81.390
Base-Backbone interact. energy: -0.030
local terms energy: -101.513699
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -26.095
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -282.758366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.758366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.758366 (E_RNA)
where:
Base-Base interactions energy: -177.997
where: short stacking energy: -87.324
Base-Backbone interact. energy: -0.030
local terms energy: -104.731959
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -264.131470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.131470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.131470 (E_RNA)
where:
Base-Base interactions energy: -170.990
where: short stacking energy: -64.720
Base-Backbone interact. energy: -0.160
local terms energy: -92.981979
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -240.060495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.060495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.060495 (E_RNA)
where:
Base-Base interactions energy: -154.702
where: short stacking energy: -71.599
Base-Backbone interact. energy: -0.349
local terms energy: -85.008807
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -248.351118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.351118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.351118 (E_RNA)
where:
Base-Base interactions energy: -155.904
where: short stacking energy: -71.418
Base-Backbone interact. energy: -0.103
local terms energy: -92.343396
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -233.034671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.034671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.034671 (E_RNA)
where:
Base-Base interactions energy: -135.853
where: short stacking energy: -68.216
Base-Backbone interact. energy: -0.674
local terms energy: -96.507964
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -25.099
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -179.080519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.080519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.080519 (E_RNA)
where:
Base-Base interactions energy: -107.166
where: short stacking energy: -55.292
Base-Backbone interact. energy: -1.087
local terms energy: -70.827988
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -370.243041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.243041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.243041 (E_RNA)
where:
Base-Base interactions energy: -246.409
where: short stacking energy: -111.194
Base-Backbone interact. energy: -0.346
local terms energy: -123.487132
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -34.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -340.794453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.794453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.794453 (E_RNA)
where:
Base-Base interactions energy: -230.171
where: short stacking energy: -90.501
Base-Backbone interact. energy: -1.388
local terms energy: -109.235287
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -25.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -349.174135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.174135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.174135 (E_RNA)
where:
Base-Base interactions energy: -229.763
where: short stacking energy: -104.760
Base-Backbone interact. energy: 0.062
local terms energy: -119.472727
where:
bonds (distance) C4'-P energy: -27.853
bonds (distance) P-C4' energy: -26.769
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -28.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -297.011499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.011499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.011499 (E_RNA)
where:
Base-Base interactions energy: -190.685
where: short stacking energy: -92.215
Base-Backbone interact. energy: -0.218
local terms energy: -106.108682
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -23.021
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -24.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -273.328861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.328861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.328861 (E_RNA)
where:
Base-Base interactions energy: -171.114
where: short stacking energy: -81.003
Base-Backbone interact. energy: -0.068
local terms energy: -102.147064
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -18.043
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: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -253.644226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.644226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.644226 (E_RNA)
where:
Base-Base interactions energy: -176.155
where: short stacking energy: -69.869
Base-Backbone interact. energy: -0.119
local terms energy: -77.370041
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -215.922904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.922904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.922904 (E_RNA)
where:
Base-Base interactions energy: -129.035
where: short stacking energy: -62.961
Base-Backbone interact. energy: 0.786
local terms energy: -87.673460
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -253.293765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.293765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.293765 (E_RNA)
where:
Base-Base interactions energy: -170.524
where: short stacking energy: -74.739
Base-Backbone interact. energy: -0.381
local terms energy: -82.389568
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -207.660381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.660381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.660381 (E_RNA)
where:
Base-Base interactions energy: -131.656
where: short stacking energy: -50.900
Base-Backbone interact. energy: -0.928
local terms energy: -75.075934
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -207.521338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.521338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.521338 (E_RNA)
where:
Base-Base interactions energy: -131.192
where: short stacking energy: -63.921
Base-Backbone interact. energy: -0.249
local terms energy: -76.080183
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -10.030
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: 1, replica: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -366.357889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.357889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.357889 (E_RNA)
where:
Base-Base interactions energy: -244.463
where: short stacking energy: -108.306
Base-Backbone interact. energy: 0.490
local terms energy: -122.384642
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -25.886
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: -30.283
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: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -355.741637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.741637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.741637 (E_RNA)
where:
Base-Base interactions energy: -230.457
where: short stacking energy: -108.785
Base-Backbone interact. energy: -0.466
local terms energy: -124.818537
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -26.945
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -35.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -331.469963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.469963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.469963 (E_RNA)
where:
Base-Base interactions energy: -227.978
where: short stacking energy: -99.929
Base-Backbone interact. energy: 0.761
local terms energy: -104.253545
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -25.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -291.282932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.282932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.282932 (E_RNA)
where:
Base-Base interactions energy: -190.773
where: short stacking energy: -85.265
Base-Backbone interact. energy: -0.378
local terms energy: -100.131742
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -280.939450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.939450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.939450 (E_RNA)
where:
Base-Base interactions energy: -182.526
where: short stacking energy: -90.204
Base-Backbone interact. energy: 1.418
local terms energy: -99.830825
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -267.556913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.556913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.556913 (E_RNA)
where:
Base-Base interactions energy: -175.608
where: short stacking energy: -85.416
Base-Backbone interact. energy: -0.520
local terms energy: -91.429750
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -268.546087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.546087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.546087 (E_RNA)
where:
Base-Base interactions energy: -171.165
where: short stacking energy: -77.194
Base-Backbone interact. energy: -0.147
local terms energy: -97.234762
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -22.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -226.973845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.973845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.973845 (E_RNA)
where:
Base-Base interactions energy: -138.158
where: short stacking energy: -59.631
Base-Backbone interact. energy: -0.111
local terms energy: -88.704941
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -218.322342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.322342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.322342 (E_RNA)
where:
Base-Base interactions energy: -129.408
where: short stacking energy: -62.634
Base-Backbone interact. energy: -0.488
local terms energy: -88.426116
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -25.646
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -12.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -191.856831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.856831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.856831 (E_RNA)
where:
Base-Base interactions energy: -107.890
where: short stacking energy: -67.625
Base-Backbone interact. energy: -0.245
local terms energy: -83.721812
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -12.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -352.896678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.896678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.896678 (E_RNA)
where:
Base-Base interactions energy: -241.634
where: short stacking energy: -100.806
Base-Backbone interact. energy: -0.360
local terms energy: -110.903091
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -33.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -350.099808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.099808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.099808 (E_RNA)
where:
Base-Base interactions energy: -239.409
where: short stacking energy: -105.032
Base-Backbone interact. energy: -0.055
local terms energy: -110.635848
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -29.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -340.196261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.196261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.196261 (E_RNA)
where:
Base-Base interactions energy: -221.986
where: short stacking energy: -90.241
Base-Backbone interact. energy: -1.377
local terms energy: -116.833325
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -25.861
flat angles P-C4'-P energy: -18.630
tors. eta vs tors. theta energy: -25.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -254.859028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.859028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.859028 (E_RNA)
where:
Base-Base interactions energy: -161.789
where: short stacking energy: -71.059
Base-Backbone interact. energy: -0.447
local terms energy: -92.622673
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -278.186080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.186080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.186080 (E_RNA)
where:
Base-Base interactions energy: -180.634
where: short stacking energy: -86.120
Base-Backbone interact. energy: -0.033
local terms energy: -97.518702
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -22.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -277.098387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.098387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.098387 (E_RNA)
where:
Base-Base interactions energy: -181.670
where: short stacking energy: -88.947
Base-Backbone interact. energy: -0.091
local terms energy: -95.337085
where:
bonds (distance) C4'-P energy: -23.119
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -23.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -262.669930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.669930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.669930 (E_RNA)
where:
Base-Base interactions energy: -171.347
where: short stacking energy: -88.579
Base-Backbone interact. energy: -0.038
local terms energy: -91.285374
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -28.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -226.885124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.885124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.885124 (E_RNA)
where:
Base-Base interactions energy: -139.836
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.460
local terms energy: -86.589275
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -28.415
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -208.793245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.793245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.793245 (E_RNA)
where:
Base-Base interactions energy: -138.924
where: short stacking energy: -65.566
Base-Backbone interact. energy: 0.187
local terms energy: -70.056974
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -11.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -172.742349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.742349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.742349 (E_RNA)
where:
Base-Base interactions energy: -99.145
where: short stacking energy: -50.242
Base-Backbone interact. energy: 0.002
local terms energy: -73.599283
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -9.034
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: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -369.094780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.094780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.094780 (E_RNA)
where:
Base-Base interactions energy: -243.601
where: short stacking energy: -107.882
Base-Backbone interact. energy: -0.031
local terms energy: -125.461877
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -27.836
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -32.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -346.426297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.426297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.426297 (E_RNA)
where:
Base-Base interactions energy: -229.495
where: short stacking energy: -89.820
Base-Backbone interact. energy: -1.229
local terms energy: -115.702337
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -28.296
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -24.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -339.483894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.483894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.483894 (E_RNA)
where:
Base-Base interactions energy: -229.290
where: short stacking energy: -110.150
Base-Backbone interact. energy: -0.405
local terms energy: -109.788780
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -25.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -268.883195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.883195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.883195 (E_RNA)
where:
Base-Base interactions energy: -166.114
where: short stacking energy: -78.359
Base-Backbone interact. energy: -0.202
local terms energy: -102.567669
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -281.637099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.637099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.637099 (E_RNA)
where:
Base-Base interactions energy: -185.540
where: short stacking energy: -85.243
Base-Backbone interact. energy: -0.010
local terms energy: -96.086925
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -23.921
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -276.293691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.293691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.293691 (E_RNA)
where:
Base-Base interactions energy: -184.924
where: short stacking energy: -74.432
Base-Backbone interact. energy: -1.132
local terms energy: -90.237600
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -255.589936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.589936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.589936 (E_RNA)
where:
Base-Base interactions energy: -162.109
where: short stacking energy: -78.855
Base-Backbone interact. energy: -0.200
local terms energy: -93.280824
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -251.817331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.817331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.817331 (E_RNA)
where:
Base-Base interactions energy: -158.816
where: short stacking energy: -65.696
Base-Backbone interact. energy: -0.143
local terms energy: -92.858395
where:
bonds (distance) C4'-P energy: -22.698
bonds (distance) P-C4' energy: -24.710
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -16.130
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: 484
Temperature: 1.300000
Total energy: -111.818991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.818991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.818991 (E_RNA)
where:
Base-Base interactions energy: -48.195
where: short stacking energy: -44.025
Base-Backbone interact. energy: -0.257
local terms energy: -63.366772
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -4.358
tors. eta vs tors. theta energy: -4.712
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: 10, replica: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -187.926592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.926592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.926592 (E_RNA)
where:
Base-Base interactions energy: -118.051
where: short stacking energy: -50.793
Base-Backbone interact. energy: -0.385
local terms energy: -69.491383
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -0.798
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -366.556277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.556277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.556277 (E_RNA)
where:
Base-Base interactions energy: -249.081
where: short stacking energy: -108.290
Base-Backbone interact. energy: -0.045
local terms energy: -117.430708
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -27.703
flat angles C4'-P-C4' energy: -25.108
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -31.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -346.970870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.970870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.970870 (E_RNA)
where:
Base-Base interactions energy: -235.772
where: short stacking energy: -103.368
Base-Backbone interact. energy: -1.275
local terms energy: -109.923814
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -23.960
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -33.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -351.398765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.398765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.398765 (E_RNA)
where:
Base-Base interactions energy: -240.671
where: short stacking energy: -109.268
Base-Backbone interact. energy: -3.221
local terms energy: -107.506791
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -28.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -276.251414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.251414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.251414 (E_RNA)
where:
Base-Base interactions energy: -170.082
where: short stacking energy: -78.154
Base-Backbone interact. energy: -0.067
local terms energy: -106.102348
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -264.821584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.821584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.821584 (E_RNA)
where:
Base-Base interactions energy: -177.034
where: short stacking energy: -74.066
Base-Backbone interact. energy: -0.823
local terms energy: -86.965022
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -262.045788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.045788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.045788 (E_RNA)
where:
Base-Base interactions energy: -164.084
where: short stacking energy: -83.579
Base-Backbone interact. energy: -0.640
local terms energy: -97.322366
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -259.706626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.706626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.706626 (E_RNA)
where:
Base-Base interactions energy: -171.443
where: short stacking energy: -73.311
Base-Backbone interact. energy: -0.965
local terms energy: -87.298946
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -207.044061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.044061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.044061 (E_RNA)
where:
Base-Base interactions energy: -117.698
where: short stacking energy: -47.133
Base-Backbone interact. energy: -0.805
local terms energy: -88.540554
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -123.649560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.649560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.649560 (E_RNA)
where:
Base-Base interactions energy: -55.830
where: short stacking energy: -46.059
Base-Backbone interact. energy: -0.388
local terms energy: -67.430707
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -184.191681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.191681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.191681 (E_RNA)
where:
Base-Base interactions energy: -121.225
where: short stacking energy: -52.076
Base-Backbone interact. energy: -0.630
local terms energy: -62.336069
where:
bonds (distance) C4'-P energy: -8.792
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -368.233444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.233444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.233444 (E_RNA)
where:
Base-Base interactions energy: -251.603
where: short stacking energy: -113.395
Base-Backbone interact. energy: -0.045
local terms energy: -116.585994
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -23.919
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -36.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -333.691222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.691222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.691222 (E_RNA)
where:
Base-Base interactions energy: -219.602
where: short stacking energy: -102.014
Base-Backbone interact. energy: -1.046
local terms energy: -113.043137
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -25.274
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -26.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -294.350449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.350449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.350449 (E_RNA)
where:
Base-Base interactions energy: -187.230
where: short stacking energy: -88.869
Base-Backbone interact. energy: -0.098
local terms energy: -107.022957
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -26.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -324.926722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.926722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.926722 (E_RNA)
where:
Base-Base interactions energy: -233.934
where: short stacking energy: -94.454
Base-Backbone interact. energy: -0.350
local terms energy: -90.643115
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -266.399820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.399820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.399820 (E_RNA)
where:
Base-Base interactions energy: -164.050
where: short stacking energy: -78.333
Base-Backbone interact. energy: -0.312
local terms energy: -102.037620
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -19.043
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: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -244.447872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.447872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.447872 (E_RNA)
where:
Base-Base interactions energy: -155.410
where: short stacking energy: -70.443
Base-Backbone interact. energy: -0.332
local terms energy: -88.705778
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -252.458804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.458804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.458804 (E_RNA)
where:
Base-Base interactions energy: -158.448
where: short stacking energy: -78.006
Base-Backbone interact. energy: 0.200
local terms energy: -94.210712
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -20.283
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: 8, replica: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -252.855199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.855199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.855199 (E_RNA)
where:
Base-Base interactions energy: -157.410
where: short stacking energy: -72.916
Base-Backbone interact. energy: -0.372
local terms energy: -95.073991
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -205.659212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.659212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.659212 (E_RNA)
where:
Base-Base interactions energy: -130.236
where: short stacking energy: -57.611
Base-Backbone interact. energy: -0.588
local terms energy: -74.835086
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -115.276460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.276460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.276460 (E_RNA)
where:
Base-Base interactions energy: -40.877
where: short stacking energy: -38.100
Base-Backbone interact. energy: -0.219
local terms energy: -74.181276
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -371.095652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.095652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.095652 (E_RNA)
where:
Base-Base interactions energy: -245.626
where: short stacking energy: -114.247
Base-Backbone interact. energy: -0.652
local terms energy: -124.817159
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -35.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -344.161063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.161063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.161063 (E_RNA)
where:
Base-Base interactions energy: -229.420
where: short stacking energy: -99.288
Base-Backbone interact. energy: -0.279
local terms energy: -114.462666
where:
bonds (distance) C4'-P energy: -24.419
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -25.092
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -29.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -291.825912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.825912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.825912 (E_RNA)
where:
Base-Base interactions energy: -189.486
where: short stacking energy: -89.199
Base-Backbone interact. energy: 0.466
local terms energy: -102.805443
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -21.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -268.069509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.069509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.069509 (E_RNA)
where:
Base-Base interactions energy: -174.767
where: short stacking energy: -83.267
Base-Backbone interact. energy: -0.188
local terms energy: -93.115322
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -312.512656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.512656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.512656 (E_RNA)
where:
Base-Base interactions energy: -211.222
where: short stacking energy: -83.981
Base-Backbone interact. energy: -0.363
local terms energy: -100.927909
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -26.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -266.189507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.189507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.189507 (E_RNA)
where:
Base-Base interactions energy: -165.612
where: short stacking energy: -77.090
Base-Backbone interact. energy: -0.291
local terms energy: -100.286817
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -219.207709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.207709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.207709 (E_RNA)
where:
Base-Base interactions energy: -133.150
where: short stacking energy: -68.435
Base-Backbone interact. energy: -0.566
local terms energy: -85.491937
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -200.539824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.539824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.539824 (E_RNA)
where:
Base-Base interactions energy: -124.523
where: short stacking energy: -64.512
Base-Backbone interact. energy: -0.145
local terms energy: -75.872042
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -243.676158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.676158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.676158 (E_RNA)
where:
Base-Base interactions energy: -159.441
where: short stacking energy: -73.994
Base-Backbone interact. energy: -0.375
local terms energy: -83.860979
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -108.822298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.822298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.822298 (E_RNA)
where:
Base-Base interactions energy: -37.775
where: short stacking energy: -35.020
Base-Backbone interact. energy: -0.268
local terms energy: -70.779092
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -364.146175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.146175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.146175 (E_RNA)
where:
Base-Base interactions energy: -243.106
where: short stacking energy: -108.159
Base-Backbone interact. energy: -0.258
local terms energy: -120.781542
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -26.127
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -35.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -345.706206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.706206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.706206 (E_RNA)
where:
Base-Base interactions energy: -236.511
where: short stacking energy: -102.052
Base-Backbone interact. energy: -0.715
local terms energy: -108.480371
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -18.380
tors. eta vs tors. theta energy: -31.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -298.740230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.740230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.740230 (E_RNA)
where:
Base-Base interactions energy: -198.523
where: short stacking energy: -93.597
Base-Backbone interact. energy: -0.232
local terms energy: -99.985043
where:
bonds (distance) C4'-P energy: -20.320
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -22.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -284.405588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.405588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.405588 (E_RNA)
where:
Base-Base interactions energy: -184.312
where: short stacking energy: -90.066
Base-Backbone interact. energy: -0.381
local terms energy: -99.713143
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -333.516036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.516036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.516036 (E_RNA)
where:
Base-Base interactions energy: -219.439
where: short stacking energy: -96.804
Base-Backbone interact. energy: -2.621
local terms energy: -111.456810
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -30.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -264.738715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.738715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.738715 (E_RNA)
where:
Base-Base interactions energy: -168.265
where: short stacking energy: -77.062
Base-Backbone interact. energy: -0.339
local terms energy: -96.135192
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -252.692778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.692778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.692778 (E_RNA)
where:
Base-Base interactions energy: -164.466
where: short stacking energy: -83.587
Base-Backbone interact. energy: -0.145
local terms energy: -88.081750
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -22.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -238.885332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.885332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.885332 (E_RNA)
where:
Base-Base interactions energy: -147.400
where: short stacking energy: -64.105
Base-Backbone interact. energy: 1.035
local terms energy: -92.519708
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -14.506
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: 2
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -230.226032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.226032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.226032 (E_RNA)
where:
Base-Base interactions energy: -144.264
where: short stacking energy: -73.145
Base-Backbone interact. energy: -0.057
local terms energy: -85.905480
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -125.510312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.510312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.510312 (E_RNA)
where:
Base-Base interactions energy: -53.674
where: short stacking energy: -50.825
Base-Backbone interact. energy: -0.183
local terms energy: -71.653134
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -5.140
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: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -362.552881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.552881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.552881 (E_RNA)
where:
Base-Base interactions energy: -242.602
where: short stacking energy: -105.279
Base-Backbone interact. energy: -0.069
local terms energy: -119.882350
where:
bonds (distance) C4'-P energy: -23.623
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -32.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -341.134154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.134154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.134154 (E_RNA)
where:
Base-Base interactions energy: -235.591
where: short stacking energy: -88.796
Base-Backbone interact. energy: -0.295
local terms energy: -105.248295
where:
bonds (distance) C4'-P energy: -24.810
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -26.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -313.461115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.461115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.461115 (E_RNA)
where:
Base-Base interactions energy: -204.469
where: short stacking energy: -98.893
Base-Backbone interact. energy: -0.074
local terms energy: -108.918419
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -27.479
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: 4, replica: 1
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -330.241420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.241420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.241420 (E_RNA)
where:
Base-Base interactions energy: -220.776
where: short stacking energy: -92.883
Base-Backbone interact. energy: -0.379
local terms energy: -109.086945
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -17.825
tors. eta vs tors. theta energy: -28.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -287.599871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.599871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.599871 (E_RNA)
where:
Base-Base interactions energy: -188.147
where: short stacking energy: -95.489
Base-Backbone interact. energy: -0.034
local terms energy: -99.418875
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -26.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -255.553570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.553570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.553570 (E_RNA)
where:
Base-Base interactions energy: -159.412
where: short stacking energy: -71.582
Base-Backbone interact. energy: 0.776
local terms energy: -96.916804
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -258.451418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.451418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.451418 (E_RNA)
where:
Base-Base interactions energy: -162.172
where: short stacking energy: -73.755
Base-Backbone interact. energy: 0.477
local terms energy: -96.755772
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -232.517664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.517664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.517664 (E_RNA)
where:
Base-Base interactions energy: -143.204
where: short stacking energy: -73.341
Base-Backbone interact. energy: -0.527
local terms energy: -88.786232
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -26.390
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -238.656261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.656261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.656261 (E_RNA)
where:
Base-Base interactions energy: -158.026
where: short stacking energy: -63.572
Base-Backbone interact. energy: -0.130
local terms energy: -80.499445
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -24.489
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: -12.387
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: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -107.357953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.357953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.357953 (E_RNA)
where:
Base-Base interactions energy: -35.350
where: short stacking energy: -22.019
Base-Backbone interact. energy: -0.055
local terms energy: -71.952435
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -1.837
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: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -363.880354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.880354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.880354 (E_RNA)
where:
Base-Base interactions energy: -243.763
where: short stacking energy: -117.153
Base-Backbone interact. energy: -0.144
local terms energy: -119.973583
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -25.991
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -33.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -353.970064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.970064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.970064 (E_RNA)
where:
Base-Base interactions energy: -246.157
where: short stacking energy: -93.948
Base-Backbone interact. energy: -1.419
local terms energy: -106.394100
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -27.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -334.731504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.731504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.731504 (E_RNA)
where:
Base-Base interactions energy: -229.527
where: short stacking energy: -89.100
Base-Backbone interact. energy: 0.888
local terms energy: -106.092970
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -26.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -283.941013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.941013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.941013 (E_RNA)
where:
Base-Base interactions energy: -184.337
where: short stacking energy: -91.682
Base-Backbone interact. energy: 0.212
local terms energy: -99.816051
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -271.350292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.350292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.350292 (E_RNA)
where:
Base-Base interactions energy: -177.152
where: short stacking energy: -76.725
Base-Backbone interact. energy: -0.527
local terms energy: -93.671482
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -22.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -273.254929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.254929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.254929 (E_RNA)
where:
Base-Base interactions energy: -177.345
where: short stacking energy: -83.697
Base-Backbone interact. energy: -0.097
local terms energy: -95.812927
where:
bonds (distance) C4'-P energy: -24.107
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -20.320
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: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -242.079181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.079181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.079181 (E_RNA)
where:
Base-Base interactions energy: -157.969
where: short stacking energy: -74.449
Base-Backbone interact. energy: 1.045
local terms energy: -85.154696
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -23.427
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -13.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -229.196675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.196675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.196675 (E_RNA)
where:
Base-Base interactions energy: -151.736
where: short stacking energy: -70.738
Base-Backbone interact. energy: -0.958
local terms energy: -76.503274
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -23.146
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -236.998581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.998581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.998581 (E_RNA)
where:
Base-Base interactions energy: -161.176
where: short stacking energy: -58.046
Base-Backbone interact. energy: -0.390
local terms energy: -75.432031
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -114.748885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.748885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.748885 (E_RNA)
where:
Base-Base interactions energy: -38.759
where: short stacking energy: -39.559
Base-Backbone interact. energy: 0.291
local terms energy: -76.281229
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -367.280394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.280394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.280394 (E_RNA)
where:
Base-Base interactions energy: -244.699
where: short stacking energy: -107.084
Base-Backbone interact. energy: -0.172
local terms energy: -122.410013
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -32.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -330.113655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.113655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.113655 (E_RNA)
where:
Base-Base interactions energy: -225.061
where: short stacking energy: -90.768
Base-Backbone interact. energy: -0.512
local terms energy: -104.541340
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -23.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -335.855690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.855690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.855690 (E_RNA)
where:
Base-Base interactions energy: -233.820
where: short stacking energy: -97.313
Base-Backbone interact. energy: -0.405
local terms energy: -101.631179
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -25.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -302.973864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.973864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.973864 (E_RNA)
where:
Base-Base interactions energy: -200.548
where: short stacking energy: -92.359
Base-Backbone interact. energy: -0.376
local terms energy: -102.050066
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -20.131
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -24.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -284.699488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.699488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.699488 (E_RNA)
where:
Base-Base interactions energy: -173.941
where: short stacking energy: -75.959
Base-Backbone interact. energy: -0.108
local terms energy: -110.650602
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -23.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -242.932735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.932735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.932735 (E_RNA)
where:
Base-Base interactions energy: -148.894
where: short stacking energy: -76.844
Base-Backbone interact. energy: -0.350
local terms energy: -93.688102
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -13.378
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: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -275.301725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.301725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.301725 (E_RNA)
where:
Base-Base interactions energy: -171.242
where: short stacking energy: -79.487
Base-Backbone interact. energy: -1.173
local terms energy: -102.887313
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -21.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -245.373877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.373877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.373877 (E_RNA)
where:
Base-Base interactions energy: -144.732
where: short stacking energy: -63.487
Base-Backbone interact. energy: 0.015
local terms energy: -100.656681
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -14.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -233.400134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.400134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.400134 (E_RNA)
where:
Base-Base interactions energy: -150.769
where: short stacking energy: -65.090
Base-Backbone interact. energy: -0.242
local terms energy: -82.389497
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -111.222685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.222685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.222685 (E_RNA)
where:
Base-Base interactions energy: -37.287
where: short stacking energy: -30.637
Base-Backbone interact. energy: 0.706
local terms energy: -74.641624
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: 0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -375.033304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.033304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.033304 (E_RNA)
where:
Base-Base interactions energy: -251.514
where: short stacking energy: -113.598
Base-Backbone interact. energy: -0.012
local terms energy: -123.507626
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -35.432
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: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -339.078390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.078390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.078390 (E_RNA)
where:
Base-Base interactions energy: -229.441
where: short stacking energy: -96.125
Base-Backbone interact. energy: -0.146
local terms energy: -109.491399
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -23.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -317.736285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.736285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.736285 (E_RNA)
where:
Base-Base interactions energy: -210.114
where: short stacking energy: -87.881
Base-Backbone interact. energy: -0.285
local terms energy: -107.337720
where:
bonds (distance) C4'-P energy: -22.123
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -23.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -299.522068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.522068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.522068 (E_RNA)
where:
Base-Base interactions energy: -207.898
where: short stacking energy: -79.204
Base-Backbone interact. energy: -0.620
local terms energy: -91.003383
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -17.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -274.820610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.820610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.820610 (E_RNA)
where:
Base-Base interactions energy: -178.167
where: short stacking energy: -80.322
Base-Backbone interact. energy: -0.180
local terms energy: -96.473094
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -23.952
flat angles P-C4'-P energy: -15.220
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -241.444786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.444786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.444786 (E_RNA)
where:
Base-Base interactions energy: -158.356
where: short stacking energy: -87.140
Base-Backbone interact. energy: -0.471
local terms energy: -82.618158
where:
bonds (distance) C4'-P energy: -3.580
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -257.345181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.345181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.345181 (E_RNA)
where:
Base-Base interactions energy: -164.402
where: short stacking energy: -72.336
Base-Backbone interact. energy: -0.380
local terms energy: -92.563058
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -258.105030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.105030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.105030 (E_RNA)
where:
Base-Base interactions energy: -152.036
where: short stacking energy: -75.580
Base-Backbone interact. energy: -0.395
local terms energy: -105.673482
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -25.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -128.274033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.274033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.274033 (E_RNA)
where:
Base-Base interactions energy: -51.147
where: short stacking energy: -44.442
Base-Backbone interact. energy: -0.248
local terms energy: -76.879803
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -209.176416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.176416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.176416 (E_RNA)
where:
Base-Base interactions energy: -132.449
where: short stacking energy: -54.820
Base-Backbone interact. energy: 1.697
local terms energy: -78.424345
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -374.737258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.737258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.737258 (E_RNA)
where:
Base-Base interactions energy: -255.253
where: short stacking energy: -109.315
Base-Backbone interact. energy: -0.020
local terms energy: -119.464168
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -25.028
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -33.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -342.989258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.989258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.989258 (E_RNA)
where:
Base-Base interactions energy: -230.838
where: short stacking energy: -98.802
Base-Backbone interact. energy: -0.404
local terms energy: -111.747426
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -23.981
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -26.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -330.136124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.136124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.136124 (E_RNA)
where:
Base-Base interactions energy: -223.327
where: short stacking energy: -96.769
Base-Backbone interact. energy: -0.723
local terms energy: -106.085614
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -318.022722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.022722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.022722 (E_RNA)
where:
Base-Base interactions energy: -209.837
where: short stacking energy: -89.570
Base-Backbone interact. energy: -0.362
local terms energy: -107.823700
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -271.498850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.498850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.498850 (E_RNA)
where:
Base-Base interactions energy: -170.931
where: short stacking energy: -82.645
Base-Backbone interact. energy: 1.285
local terms energy: -101.852402
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -254.780053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.780053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.780053 (E_RNA)
where:
Base-Base interactions energy: -174.639
where: short stacking energy: -77.414
Base-Backbone interact. energy: -0.410
local terms energy: -79.730685
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -16.874
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: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -258.254716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.254716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.254716 (E_RNA)
where:
Base-Base interactions energy: -161.602
where: short stacking energy: -83.612
Base-Backbone interact. energy: -0.130
local terms energy: -96.522802
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -20.361
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -21.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -248.160765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.160765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.160765 (E_RNA)
where:
Base-Base interactions energy: -166.984
where: short stacking energy: -73.018
Base-Backbone interact. energy: -0.374
local terms energy: -80.803635
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -15.771
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: 9, replica: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -131.207814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.207814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.207814 (E_RNA)
where:
Base-Base interactions energy: -56.253
where: short stacking energy: -46.764
Base-Backbone interact. energy: -0.193
local terms energy: -74.762450
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -4.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -196.423219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.423219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.423219 (E_RNA)
where:
Base-Base interactions energy: -125.549
where: short stacking energy: -63.956
Base-Backbone interact. energy: -0.367
local terms energy: -70.507405
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -9.389
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -367.977959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.977959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.977959 (E_RNA)
where:
Base-Base interactions energy: -244.877
where: short stacking energy: -109.765
Base-Backbone interact. energy: -0.549
local terms energy: -122.551612
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -32.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -336.494352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.494352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.494352 (E_RNA)
where:
Base-Base interactions energy: -220.781
where: short stacking energy: -93.079
Base-Backbone interact. energy: -0.501
local terms energy: -115.212341
where:
bonds (distance) C4'-P energy: -24.482
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -29.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -332.252767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.252767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.252767 (E_RNA)
where:
Base-Base interactions energy: -219.170
where: short stacking energy: -91.430
Base-Backbone interact. energy: -0.625
local terms energy: -112.457802
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -29.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -330.590875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.590875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.590875 (E_RNA)
where:
Base-Base interactions energy: -229.733
where: short stacking energy: -95.299
Base-Backbone interact. energy: -0.716
local terms energy: -100.142324
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -25.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -281.761955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.761955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.761955 (E_RNA)
where:
Base-Base interactions energy: -188.798
where: short stacking energy: -89.216
Base-Backbone interact. energy: -0.076
local terms energy: -92.888535
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -264.642489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.642489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.642489 (E_RNA)
where:
Base-Base interactions energy: -167.994
where: short stacking energy: -90.040
Base-Backbone interact. energy: -0.036
local terms energy: -96.612603
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -226.386298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.386298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.386298 (E_RNA)
where:
Base-Base interactions energy: -135.161
where: short stacking energy: -66.539
Base-Backbone interact. energy: -0.628
local terms energy: -90.597210
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -20.856
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -15.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -248.894763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.894763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.894763 (E_RNA)
where:
Base-Base interactions energy: -156.490
where: short stacking energy: -63.922
Base-Backbone interact. energy: -0.942
local terms energy: -91.463373
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -15.546
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: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -222.557654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.557654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.557654 (E_RNA)
where:
Base-Base interactions energy: -139.621
where: short stacking energy: -58.224
Base-Backbone interact. energy: -0.238
local terms energy: -82.698303
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -117.543086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.543086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.543086 (E_RNA)
where:
Base-Base interactions energy: -42.001
where: short stacking energy: -31.703
Base-Backbone interact. energy: 0.022
local terms energy: -75.563764
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -25.146
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -373.158486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.158486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.158486 (E_RNA)
where:
Base-Base interactions energy: -250.452
where: short stacking energy: -112.544
Base-Backbone interact. energy: -0.243
local terms energy: -122.463236
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -34.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -353.088690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.088690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.088690 (E_RNA)
where:
Base-Base interactions energy: -251.294
where: short stacking energy: -103.771
Base-Backbone interact. energy: -1.496
local terms energy: -100.298976
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -32.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -348.945698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.945698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.945698 (E_RNA)
where:
Base-Base interactions energy: -233.310
where: short stacking energy: -99.939
Base-Backbone interact. energy: 0.590
local terms energy: -116.225102
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -21.398
tors. eta vs tors. theta energy: -25.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -301.937706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.937706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.937706 (E_RNA)
where:
Base-Base interactions energy: -185.576
where: short stacking energy: -90.719
Base-Backbone interact. energy: 0.283
local terms energy: -116.644169
where:
bonds (distance) C4'-P energy: -22.718
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -28.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -308.056780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.056780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.056780 (E_RNA)
where:
Base-Base interactions energy: -210.021
where: short stacking energy: -92.377
Base-Backbone interact. energy: -1.230
local terms energy: -96.805643
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -26.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -247.102090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.102090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.102090 (E_RNA)
where:
Base-Base interactions energy: -156.288
where: short stacking energy: -70.533
Base-Backbone interact. energy: -0.705
local terms energy: -90.109702
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -248.168166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.168166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.168166 (E_RNA)
where:
Base-Base interactions energy: -155.180
where: short stacking energy: -76.546
Base-Backbone interact. energy: -0.380
local terms energy: -92.608351
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -25.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -237.106905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.106905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.106905 (E_RNA)
where:
Base-Base interactions energy: -140.685
where: short stacking energy: -63.561
Base-Backbone interact. energy: 0.556
local terms energy: -96.978319
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -25.058
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -12.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -239.329124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.329124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.329124 (E_RNA)
where:
Base-Base interactions energy: -154.292
where: short stacking energy: -74.413
Base-Backbone interact. energy: -0.106
local terms energy: -84.931430
where:
bonds (distance) C4'-P energy: -22.262
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -112.247357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.247357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.247357 (E_RNA)
where:
Base-Base interactions energy: -41.572
where: short stacking energy: -32.536
Base-Backbone interact. energy: -0.081
local terms energy: -70.593878
where:
bonds (distance) C4'-P energy: -7.814
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -3.876
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: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -363.788934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.788934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.788934 (E_RNA)
where:
Base-Base interactions energy: -250.954
where: short stacking energy: -113.808
Base-Backbone interact. energy: -0.276
local terms energy: -112.558997
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -32.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -340.673094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.673094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.673094 (E_RNA)
where:
Base-Base interactions energy: -226.655
where: short stacking energy: -102.311
Base-Backbone interact. energy: 0.552
local terms energy: -114.570396
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -26.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -344.873241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.873241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.873241 (E_RNA)
where:
Base-Base interactions energy: -239.861
where: short stacking energy: -98.596
Base-Backbone interact. energy: -0.510
local terms energy: -104.502299
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -25.272
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: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -276.173291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.173291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.173291 (E_RNA)
where:
Base-Base interactions energy: -174.351
where: short stacking energy: -84.525
Base-Backbone interact. energy: 0.326
local terms energy: -102.148124
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -22.871
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -19.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -311.580255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.580255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.580255 (E_RNA)
where:
Base-Base interactions energy: -210.270
where: short stacking energy: -77.180
Base-Backbone interact. energy: -0.515
local terms energy: -100.794551
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -23.993
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -262.999715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.999715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.999715 (E_RNA)
where:
Base-Base interactions energy: -168.235
where: short stacking energy: -81.977
Base-Backbone interact. energy: -0.735
local terms energy: -94.030370
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -16.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -259.854375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.854375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.854375 (E_RNA)
where:
Base-Base interactions energy: -158.137
where: short stacking energy: -70.045
Base-Backbone interact. energy: -0.612
local terms energy: -101.105779
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -14.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -241.710505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.710505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.710505 (E_RNA)
where:
Base-Base interactions energy: -162.160
where: short stacking energy: -70.893
Base-Backbone interact. energy: -0.304
local terms energy: -79.246022
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -210.120079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.120079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.120079 (E_RNA)
where:
Base-Base interactions energy: -134.705
where: short stacking energy: -61.030
Base-Backbone interact. energy: -0.183
local terms energy: -75.232923
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -10.350
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: 10, replica: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -117.784725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.784725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.784725 (E_RNA)
where:
Base-Base interactions energy: -36.757
where: short stacking energy: -33.525
Base-Backbone interact. energy: -0.423
local terms energy: -80.604871
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -16.400
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: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -367.091138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.091138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.091138 (E_RNA)
where:
Base-Base interactions energy: -247.616
where: short stacking energy: -110.720
Base-Backbone interact. energy: -0.060
local terms energy: -119.414869
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -33.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -347.805071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.805071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.805071 (E_RNA)
where:
Base-Base interactions energy: -238.680
where: short stacking energy: -101.748
Base-Backbone interact. energy: 0.596
local terms energy: -109.721132
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -28.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -321.360848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.360848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.360848 (E_RNA)
where:
Base-Base interactions energy: -209.483
where: short stacking energy: -89.001
Base-Backbone interact. energy: -0.562
local terms energy: -111.316462
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -25.050
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -24.193
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: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -321.445165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.445165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.445165 (E_RNA)
where:
Base-Base interactions energy: -218.542
where: short stacking energy: -87.221
Base-Backbone interact. energy: 0.990
local terms energy: -103.893477
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -270.899331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.899331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.899331 (E_RNA)
where:
Base-Base interactions energy: -184.386
where: short stacking energy: -91.645
Base-Backbone interact. energy: -0.065
local terms energy: -86.448558
where:
bonds (distance) C4'-P energy: -17.581
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -23.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -271.466884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.466884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.466884 (E_RNA)
where:
Base-Base interactions energy: -176.708
where: short stacking energy: -80.319
Base-Backbone interact. energy: -0.207
local terms energy: -94.551572
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -15.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -275.209436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.209436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.209436 (E_RNA)
where:
Base-Base interactions energy: -166.401
where: short stacking energy: -79.634
Base-Backbone interact. energy: -0.709
local terms energy: -108.099554
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -21.963
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -27.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -217.763505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.763505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.763505 (E_RNA)
where:
Base-Base interactions energy: -129.117
where: short stacking energy: -55.571
Base-Backbone interact. energy: -0.419
local terms energy: -88.227930
where:
bonds (distance) C4'-P energy: -24.440
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -241.252723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.252723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.252723 (E_RNA)
where:
Base-Base interactions energy: -149.111
where: short stacking energy: -76.904
Base-Backbone interact. energy: -0.198
local terms energy: -91.943730
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -25.152
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -112.826927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.826927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.826927 (E_RNA)
where:
Base-Base interactions energy: -47.540
where: short stacking energy: -43.394
Base-Backbone interact. energy: -0.453
local terms energy: -64.834098
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -372.024500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.024500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.024500 (E_RNA)
where:
Base-Base interactions energy: -248.155
where: short stacking energy: -108.563
Base-Backbone interact. energy: -0.281
local terms energy: -123.588694
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: -32.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -344.481136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.481136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.481136 (E_RNA)
where:
Base-Base interactions energy: -232.973
where: short stacking energy: -100.040
Base-Backbone interact. energy: -3.120
local terms energy: -108.388278
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -15.489
tors. eta vs tors. theta energy: -27.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -324.746575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.746575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.746575 (E_RNA)
where:
Base-Base interactions energy: -214.800
where: short stacking energy: -102.715
Base-Backbone interact. energy: -0.480
local terms energy: -109.466124
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -26.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -344.008902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.008902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.008902 (E_RNA)
where:
Base-Base interactions energy: -239.480
where: short stacking energy: -97.315
Base-Backbone interact. energy: -0.805
local terms energy: -103.724211
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -26.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -274.962473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.962473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.962473 (E_RNA)
where:
Base-Base interactions energy: -169.492
where: short stacking energy: -89.419
Base-Backbone interact. energy: 0.751
local terms energy: -106.221621
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -23.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -259.186732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.186732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.186732 (E_RNA)
where:
Base-Base interactions energy: -162.612
where: short stacking energy: -88.685
Base-Backbone interact. energy: -0.377
local terms energy: -96.197974
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -255.799390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.799390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.799390 (E_RNA)
where:
Base-Base interactions energy: -170.176
where: short stacking energy: -73.546
Base-Backbone interact. energy: -0.317
local terms energy: -85.305994
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -205.422775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.422775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.422775 (E_RNA)
where:
Base-Base interactions energy: -121.716
where: short stacking energy: -58.104
Base-Backbone interact. energy: -0.674
local terms energy: -83.033321
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -9.591
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: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -220.999528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.999528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.999528 (E_RNA)
where:
Base-Base interactions energy: -143.118
where: short stacking energy: -59.751
Base-Backbone interact. energy: -0.224
local terms energy: -77.657302
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -7.975
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: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -106.401536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.401536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.401536 (E_RNA)
where:
Base-Base interactions energy: -48.658
where: short stacking energy: -48.658
Base-Backbone interact. energy: -0.351
local terms energy: -57.393118
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -371.270733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.270733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.270733 (E_RNA)
where:
Base-Base interactions energy: -251.797
where: short stacking energy: -106.278
Base-Backbone interact. energy: -0.015
local terms energy: -119.458378
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -19.292
tors. eta vs tors. theta energy: -32.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -333.043565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.043565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.043565 (E_RNA)
where:
Base-Base interactions energy: -231.105
where: short stacking energy: -86.863
Base-Backbone interact. energy: -1.512
local terms energy: -100.426685
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -309.119123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.119123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.119123 (E_RNA)
where:
Base-Base interactions energy: -204.626
where: short stacking energy: -90.247
Base-Backbone interact. energy: -0.262
local terms energy: -104.231215
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -26.448
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -22.382
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: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -316.213212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.213212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.213212 (E_RNA)
where:
Base-Base interactions energy: -207.563
where: short stacking energy: -91.943
Base-Backbone interact. energy: -0.343
local terms energy: -108.307386
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -26.100
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -27.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -288.729081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.729081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.729081 (E_RNA)
where:
Base-Base interactions energy: -189.008
where: short stacking energy: -87.907
Base-Backbone interact. energy: -0.042
local terms energy: -99.679311
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -24.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -275.726086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.726086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.726086 (E_RNA)
where:
Base-Base interactions energy: -180.125
where: short stacking energy: -76.184
Base-Backbone interact. energy: 3.705
local terms energy: -99.305934
where:
bonds (distance) C4'-P energy: -25.812
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -246.542114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.542114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.542114 (E_RNA)
where:
Base-Base interactions energy: -151.720
where: short stacking energy: -77.029
Base-Backbone interact. energy: -0.094
local terms energy: -94.727319
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -21.140
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -211.781541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.781541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.781541 (E_RNA)
where:
Base-Base interactions energy: -130.337
where: short stacking energy: -63.331
Base-Backbone interact. energy: -0.499
local terms energy: -80.945744
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -206.694782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.694782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.694782 (E_RNA)
where:
Base-Base interactions energy: -128.990
where: short stacking energy: -63.865
Base-Backbone interact. energy: -0.112
local terms energy: -77.592971
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -10.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -124.474830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.474830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.474830 (E_RNA)
where:
Base-Base interactions energy: -47.960
where: short stacking energy: -40.865
Base-Backbone interact. energy: -0.546
local terms energy: -75.968081
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -371.023341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.023341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.023341 (E_RNA)
where:
Base-Base interactions energy: -248.610
where: short stacking energy: -108.378
Base-Backbone interact. energy: 0.151
local terms energy: -122.564710
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -26.529
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -32.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -343.556420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.556420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.556420 (E_RNA)
where:
Base-Base interactions energy: -240.538
where: short stacking energy: -100.324
Base-Backbone interact. energy: -0.309
local terms energy: -102.709442
where:
bonds (distance) C4'-P energy: -22.757
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -24.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -317.936941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.936941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.936941 (E_RNA)
where:
Base-Base interactions energy: -212.587
where: short stacking energy: -92.711
Base-Backbone interact. energy: -0.577
local terms energy: -104.772700
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -306.803475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.803475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.803475 (E_RNA)
where:
Base-Base interactions energy: -204.272
where: short stacking energy: -89.225
Base-Backbone interact. energy: 0.138
local terms energy: -102.669925
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -29.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -276.070918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.070918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.070918 (E_RNA)
where:
Base-Base interactions energy: -180.936
where: short stacking energy: -96.025
Base-Backbone interact. energy: -0.429
local terms energy: -94.706021
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -23.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -272.715716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.715716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.715716 (E_RNA)
where:
Base-Base interactions energy: -182.425
where: short stacking energy: -78.237
Base-Backbone interact. energy: -1.188
local terms energy: -89.102827
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -244.953289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.953289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.953289 (E_RNA)
where:
Base-Base interactions energy: -150.416
where: short stacking energy: -84.176
Base-Backbone interact. energy: -0.261
local terms energy: -94.276190
where:
bonds (distance) C4'-P energy: -6.391
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -24.861
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: -21.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -206.059365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.059365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.059365 (E_RNA)
where:
Base-Base interactions energy: -123.285
where: short stacking energy: -58.481
Base-Backbone interact. energy: -0.371
local terms energy: -82.403299
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -196.675698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.675698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.675698 (E_RNA)
where:
Base-Base interactions energy: -106.457
where: short stacking energy: -46.988
Base-Backbone interact. energy: -0.631
local terms energy: -89.587319
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -11.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -112.383884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.383884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.383884 (E_RNA)
where:
Base-Base interactions energy: -50.539
where: short stacking energy: -43.769
Base-Backbone interact. energy: -0.175
local terms energy: -61.669126
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: 2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -367.805427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.805427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.805427 (E_RNA)
where:
Base-Base interactions energy: -245.790
where: short stacking energy: -105.967
Base-Backbone interact. energy: -0.034
local terms energy: -121.981775
where:
bonds (distance) C4'-P energy: -19.004
bonds (distance) P-C4' energy: -24.295
flat angles C4'-P-C4' energy: -28.769
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -31.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -345.184860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.184860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.184860 (E_RNA)
where:
Base-Base interactions energy: -233.860
where: short stacking energy: -99.347
Base-Backbone interact. energy: 1.402
local terms energy: -112.726005
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -25.673
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -346.286274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.286274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.286274 (E_RNA)
where:
Base-Base interactions energy: -236.731
where: short stacking energy: -98.980
Base-Backbone interact. energy: -0.268
local terms energy: -109.287255
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -25.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -321.422054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.422054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.422054 (E_RNA)
where:
Base-Base interactions energy: -222.256
where: short stacking energy: -88.011
Base-Backbone interact. energy: -0.496
local terms energy: -98.670146
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -23.280
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -24.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -286.657447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.657447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.657447 (E_RNA)
where:
Base-Base interactions energy: -191.284
where: short stacking energy: -92.705
Base-Backbone interact. energy: -0.056
local terms energy: -95.317531
where:
bonds (distance) C4'-P energy: -23.173
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -22.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -256.845685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.845685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.845685 (E_RNA)
where:
Base-Base interactions energy: -165.151
where: short stacking energy: -78.599
Base-Backbone interact. energy: -0.283
local terms energy: -91.410865
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -251.066318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.066318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.066318 (E_RNA)
where:
Base-Base interactions energy: -155.852
where: short stacking energy: -72.811
Base-Backbone interact. energy: -0.380
local terms energy: -94.833898
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -217.381080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.381080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.381080 (E_RNA)
where:
Base-Base interactions energy: -137.775
where: short stacking energy: -57.954
Base-Backbone interact. energy: -0.194
local terms energy: -79.412036
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -254.467900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.467900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.467900 (E_RNA)
where:
Base-Base interactions energy: -164.170
where: short stacking energy: -76.654
Base-Backbone interact. energy: 0.109
local terms energy: -90.406761
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -101.206951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.206951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.206951 (E_RNA)
where:
Base-Base interactions energy: -31.973
where: short stacking energy: -30.206
Base-Backbone interact. energy: -0.271
local terms energy: -68.963074
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 14871353
moves confirmed later: 15921067
all moves confirmed: 30792420
percent of confirmed moves: 3.849052
current total energy: -325.368123
recalc. total energy: -325.368123
replica 8 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 24611400
moves confirmed later: 28624910
all moves confirmed: 53236310
percent of confirmed moves: 6.654539
current total energy: -323.070291
recalc. total energy: -323.070291
replica 7 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 27193738
moves confirmed later: 32102532
all moves confirmed: 59296270
percent of confirmed moves: 7.412034
current total energy: -293.434760
recalc. total energy: -293.434760
replica 1 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 24132958
moves confirmed later: 27916499
all moves confirmed: 52049457
percent of confirmed moves: 6.506182
current total energy: -268.213008
recalc. total energy: -268.213008
replica 2 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 28168676
moves confirmed later: 33325383
all moves confirmed: 61494059
percent of confirmed moves: 7.686757
current total energy: -247.780285
recalc. total energy: -247.780285
replica 10 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 33074200
moves confirmed later: 39796912
all moves confirmed: 72871112
percent of confirmed moves: 9.108889
current total energy: -230.986799
recalc. total energy: -230.986799
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 29798613
moves confirmed later: 35490088
all moves confirmed: 65288701
percent of confirmed moves: 8.161088
current total energy: -206.442660
recalc. total energy: -206.442660
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 25508197
moves confirmed later: 29829209
all moves confirmed: 55337406
percent of confirmed moves: 6.917176
current total energy: -124.771391
recalc. total energy: -124.771391
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 26915580
moves confirmed later: 31633049
all moves confirmed: 58548629
percent of confirmed moves: 7.318579
current total energy: -192.848916
recalc. total energy: -192.848916
replica 3 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 25166213
moves confirmed later: 29308237
all moves confirmed: 54474450
percent of confirmed moves: 6.809306
current total energy: -48.570621
recalc. total energy: -48.570621
out arg RESULTS//1/Tte_free-b67a725c_01
Time of doing 8000000 iterations: 4943.570 seconds